CAS No.160003-66-7,4-iodo-3-nitrobenzamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	160003-66-7
Name:	4-iodo-3-nitrobenzamide
Article Data:	5

Formula:	C₇H₅IN₂O₃
Molecular Weight:	292.033
Synonyms:	4-Iodo-3-nitrobenzamide;BSI 201;BSI-201;BSI201;Benzamide, 4-iodo-3-nitro-;
EINECS:	685-396-9
Density:	2.056 g/cm³
Boiling Point:	344.754 °C at 760 mmHg
Flash Point:	162.302 °C
Hazard Symbols:	Xn
Risk Codes:	22-36-43
Safety:	26
PSA:	88.91000
LogP:	2.52180

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Specification

The Iniparib is an organic compound with the formula C₇H₅IN₂O₃. The IUPAC name of this chemical is 4-Iodo-3-nitrobenzamide. With the CAS registry number 160003-66-7, it is also named as Benzamide, 4-iodo-3-nitro-. Besides, it is a drug that acts as an irreversible inhibitor of PARP1 (hence, it is a PARP inhibitor) and possibly other enzymes through covalent modification.

Physical properties about Iniparib are: (1)ACD/LogP: 1.97; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 19; (5)ACD/BCF (pH 7.4): 19; (6)ACD/KOC (pH 5.5): 281; (7)ACD/KOC (pH 7.4): 281; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 88.91 Å²; (12)Index of Refraction: 1.696; (13)Molar Refractivity: 54.636 cm³; (14)Molar Volume: 142.049 cm³; (15)Polarizability: 21.659×10^-24 cm³; (16)Surface Tension: 71.318 dyne/cm; (17)Density: 2.056 g/cm³; (18)Flash Point: 162.302 °C; (19)Enthalpy of Vaporization: 58.875 kJ/mol; (20)Boiling Point: 344.754 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H5IN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)
(2)InChIKey: MDOJTZQKHMAPBK-UHFFFAOYAW
(3)Std. InChI: InChI=1S/C7H5IN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)
(4)Std. InChIKey: MDOJTZQKHMAPBK-UHFFFAOYSA-N