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Home > Nitro Compounds > 129215-12-9
129215-12-9 | Oxirane, 2-(3-nitrophenyl)-, (2R)-
CAS No: 129215-12-9 Catalog No: AG000YZ5 MDL No:
Product Description
Catalog Number:
AG000YZ5
Chemical Name:
Oxirane, 2-(3-nitrophenyl)-, (2R)-
CAS Number:
129215-12-9
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
IUPAC Name:
(2R)-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/t8-/m0/s1
InChI Key:
VVZFDVJTIOLMKC-QMMMGPOBSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)[C@H]1OC1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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