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119199-11-0

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Basic Information
CAS No.: 119199-11-0
Name: N-(4-BROMOPHENYL)BUTANAMIDE
Article Data: 9
Molecular Structure:
Molecular Structure of 119199-11-0 (N-(4-BROMOPHENYL)BUTANAMIDE)
Formula: C10H12BrNO
Molecular Weight: 242.1124
Synonyms: CHEMBRDG-BB 5625303;N-(4-BROMOPHENYL)BUTANAMIDE;N-(4-bromophenyl)butanamide(SALTDATA: FREE)
Density: 1.409 g/cm3
Boiling Point: 371.7 °C at 760 mmHg
Flash Point: 178.6 °C
PSA: 29.10000
LogP: 3.26070
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Specification

The CAS registry number of Butanamide,N-(4-bromophenyl)- is 119199-11-0. This chemical's molecular formula is C10H12BrNO and molecular weight is 242.1124. What's more, its systematic name is called N-(4-Bromophenyl)butanamide.

Physical properties about Butanamide,N-(4-bromophenyl)- are: (1)ACD/LogP: 3.35; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)CD/LogD (pH 7.4): 3.35; (5)ACD/BCF (pH 5.5): 207.99; (6)ACD/BCF (pH 7.4): 207.99; (7)ACD/KOC (pH 5.5): 1588.06; (8)ACD/KOC (pH 7.4): 1588.07; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 57.48 cm3; (15)Molar Volume: 171.7 cm3; (16)Surface Tension: 43.5 dyne/cm; (17)Density: 1.409 g/cm3; (18)Flash Point: 178.6 °C; (19)Enthalpy of Vaporization: 61.88 kJ/mol; (20)Boiling Point: 371.7 °C at 760 mmHg; (21)Vapour Pressure: 1.01E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(NC(=O)CCC)cc1
(2) InChI: InChI=1/C10H12BrNO/c1-2-3-10(13)12-9-6-4-8(11)5-7-9/h4-7H,2-3H2,1H3,(H,12,13)
(3) InChIKey: GULFEFQSLUZFQM-UHFFFAOYAF