2(3H)-Benzoxazolone, 5-chloro-6-nitro- supplier

Name
5-chloro-6-nitro-3H-benzooxazol-2-one
EINECS
CAS No. 27087-06-5
Article Data7
CAS DataBase
Density 1.704 g/cm³
Solubility
Melting Point
Formula C₇H₃ClN₂O₄
Boiling Point
Molecular Weight 214.56
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Benzoxazolinone,5-chloro-6-nitro- (8CI);5-Chloro-6-nitrobenzoxazolin-2-one;NSC 49161;
PSA 91.82000
LogP 2.20590

2(3H)-Benzoxazolone, 5-chloro-6-nitro- Specification

This chemical is called 2(3H)-Benzoxazolone, 5-chloro-6-nitro-, and its systematic name is 5-chloro-6-nitro-1,3-benzoxazol-2(3H)-one. With the molecular formula of C₇H₃ClN₂O₄, its molecular weight is 214.56. The CAS registry number of this chemical is 27087-06-5.

Other characteristics of the 2(3H)-Benzoxazolone, 5-chloro-6-nitro- can be summarised as followings: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 1.48; (5)ACD/BCF (pH 5.5): 23.08; (6)ACD/BCF (pH 7.4): 5.47; (7)ACD/KOC (pH 5.5): 325.09; (8)ACD/KOC (pH 7.4): 77.06; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 75.36 Å²; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 45.72 cm³; (15)Molar Volume: 125.8 cm³; (16)Polarizability: 18.12×10^-24cm³; (17)Surface Tension: 67.1 dyne/cm; (18)Density: 1.704 g/cm³.

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c2c(Cl)cc1c(OC(=O)N1)c2
2.InChI: InChI=1/C7H3ClN2O4/c8-3-1-4-6(14-7(11)9-4)2-5(3)10(12)13/h1-2H,(H,9,11)
3.InChIKey: UXRRICZTIWOWDF-UHFFFAOYAE

Product Name

5-chloro-6-nitro-3H-benzooxazol-2-one

2(3H)-Benzoxazolone, 5-chloro-6-nitro- Specification

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