CAS No.2955-37-5,7-Chloro-2-oxo-5-(2-chlorophenyl)-1,4-benzodiazepine-4-oxide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2955-37-5
Name:	7-Chloro-2-oxo-5-(2-chlorophenyl)-1,4-benzodiazepine-4-oxide
Article Data:	6

Formula:	C₁₅H₁₀Cl₂N₂O₂
Molecular Weight:	321.163
Synonyms:	2H-1,4-Benzodiazepin-2-one,7-chloro-5-(o-chlorophenyl)-1,3-dihydro-, 4-oxide (7CI,8CI);7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one-4-oxide;
EINECS:	220-974-2
Density:	1.49 g/cm³
Boiling Point:	476.5oC at 760 mmHg
Flash Point:	242oC
PSA:	57.85000
LogP:	3.39000

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Specification

The 7-Chloro-2-oxo-5-(2-chlorophenyl)-1,4-benzodiazepine-4-oxide, with the CAS registry number 2955-37-5, is also known as 7-Chloro-5-(2-chlorophenyl)-4-oxy-1,3-dihydrobenzo[e][1,4]diazepin-2-one. Its EINECS number is 220-974-2. This chemical's molecular formula is C₁₅H₁₀Cl₂N₂O₂ and formula weight is 321.16. What's more, its systematic name is called 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one 4-oxide.

Physical properties of 7-Chloro-2-oxo-5-(2-chlorophenyl)-1,4-benzodiazepine-4-oxide: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 125; (8)ACD/KOC (pH 7.4): 125; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.689; (13)Molar Refractivity: 82.104 cm³; (14)Molar Volume: 215.051 cm³; (15)Surface Tension: 63.849 dyne/cm; (16)Density: 1.493 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc3ccccc3C=1c2cc(Cl)ccc2NC(=O)C[N+]=1[O-]
(2)InChI: InChI=1/C15H10Cl2N2O2/c16-9-5-6-13-11(7-9)15(19(21)8-14(20)18-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,18,20)
(3)InChIKey: OJDGPERBKOETAX-UHFFFAOYAU