Home Nitros Oxirane, (4-nitrophenyl)-

Oxirane, (4-nitrophenyl)-

CAS No.:
6388-74-5
Catalog Number:
AG00IBAJ
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
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Product Description
Catalog Number:
AG00IBAJ
Chemical Name:
Oxirane, (4-nitrophenyl)-
CAS Number:
6388-74-5
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD00181340
IUPAC Name:
2-(4-nitrophenyl)oxirane
InChI:
InChI=1S/C8H7NO3/c10-9(11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2
InChI Key:
YKIUTLHCSNCTDZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1OC1
EC Number:
228-998-5
NSC Number:
72312
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
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Inactivation of epoxide hydrolase by catalysis-induced formation of isoaspartate. FEBS letters 20080514
Cloning, expression, purification, and characterization of a novel epoxide hydrolase from Aspergillus niger SQ-6. Protein expression and purification 20070601
Enantioconvergent hydrolysis of styrene epoxides by newly discovered epoxide hydrolases in mung bean. Organic letters 20060413
Purification and characterisation of a novel enantioselective epoxide hydrolase from Aspergillus niger M200. Biochimica et biophysica acta 20060201
Structural basis for the enantioselectivity of an epoxide ring opening reaction catalyzed by halo alcohol dehalogenase HheC. Journal of the American Chemical Society 20050928
Kinetic mechanism and enantioselectivity of halohydrin dehalogenase from Agrobacterium radiobacter. Biochemistry 20030513
Biocatalysis of nitro substituted styrene oxides by non-conventional yeasts. Biotechnology letters 20030501
A spectrophotometric method to assay epoxide hydrolase activity. Journal of biochemical and biophysical methods 20011204
Properties