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Basic Information
CAS No.: 68227-78-1
Name: N-(5-chloro-2-methylphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide
Molecular Structure:
Molecular Structure of 68227-78-1 (N-(5-chloro-2-methylphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide)
Formula: C32H25ClN4O4
Molecular Weight: 565.028
Synonyms: (4E)-N-(5-chloro-2-methyl-phenyl)-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]hydrazinylidene]-3-oxo-naphthalene-2-carboxamide;3-Hydroxy-4-((2-methoxy-5-((phenylamino)carbonyl)phenyl)azo)-N-(5-chloro-2-methylphenyl)-2-naphthalenecarboxamide;Permanent Pink F 3B;N-(5-Chloro-2-methylphenyl)-3-hydroxy-4-((2-methoxy-5-((phenylamino)carbonyl)phenyl)azo)naphthalene-2-carboxamide;2-Naphthalenecarboxamide, N-(5-chloro-2-methylphenyl)-3-hydroxy-4-((2-methoxy-5-((phenylamino)carbonyl)phenyl)azo)-;C.I. Pigment Red 147;2-Naphthalenecarboxamide,N-(5-chloro-2- methylphenyl)-3-hydroxy-4-[[2-methoxy-5- [(phenylamino)carbonyl]phenyl]azo]-;
EINECS: 269-389-4
Density: 1.317 g/cm3
Boiling Point: 682.5±55.0 °C(Predicted)
PSA: 112.38000
LogP: 8.58180
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Specification

The CAS register number of Pigment Red 147 is 68227-78-1. It also can be called as N-(5-Chloro-2-methylphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide and the IUPAC name about this chemical is (4Z)-N-(5-chloro-2-methylphenyl)-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]hydrazinylidene]-3-oxonaphthalene-2-carboxamide. The molecular formula about this chemical is C32H25ClN4O4 and the molecular weight is 565.02. It belongs to the Organics.

Physical properties about Pigment Red 147 are: (1)ACD/LogP: 5.38; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 114828; (6)ACD/BCF (pH 7.4): 112354; (7)ACD/KOC (pH 5.5): 145722; (8)ACD/KOC (pH 7.4): 142583; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 108.89Å2; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 157.675 cm3; (15)Molar Volume: 428.998 cm3; (16)Polarizability: 62.507x10-24cm3; (17)Surface Tension: 50.735 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(cc1)C)NC(=O)/C5=C/c2c(cccc2)/C(=N/Nc4cc(C(=O)Nc3ccccc3)ccc4OC)C5=O
(2)InChI: InChI=1/C32H25ClN4O4/c1-19-12-14-22(33)18-26(19)35-32(40)25-16-20-8-6-7-11-24(20)29(30(25)38)37-36-27-17-21(13-15-28(27)41-2)31(39)34-23-9-4-3-5-10-23/h3-18,36H,1-2H3,(H,34,39)(H,35,40)/b37-29-
(3)InChIKey: XBIDLTIKWLPFIC-GPFIVKHLBH
(4)Std. InChI: InChI=1S/C32H25ClN4O4/c1-19-12-14-22(33)18-26(19)35-32(40)25-16-20-8-6-7-11-24(20)29(30(25)38)37-36-27-17-21(13-15-28(27)41-2)31(39)34-23-9-4-3-5-10-23/h3-18,36H,1-2H3,(H,34,39)(H,35,40)/b37-29-
(5)Std. InChIKey: XBIDLTIKWLPFIC-GPFIVKHLSA-N