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Home > Nitro Compounds > 20697-05-6
20697-05-6 | Oxirane, 2-(3-nitrophenyl)-
CAS No: 20697-05-6 Catalog No: AG002IRK MDL No:MFCD10699484
Product Description
Catalog Number:
AG002IRK
Chemical Name:
Oxirane, 2-(3-nitrophenyl)-
CAS Number:
20697-05-6
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD10699484
IUPAC Name:
2-(3-nitrophenyl)oxirane
InChI:
InChI=1S/C8H7NO3/c10-9(11)7-3-1-2-6(4-7)8-5-12-8/h1-4,8H,5H2
InChI Key:
VVZFDVJTIOLMKC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)C1OC1
Properties
Complexity:
189
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:
1.5
Literature
| Title | Journal |
|---|---|
| Biocatalysis of nitro substituted styrene oxides by non-conventional yeasts. | Biotechnology letters 20030501 |
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