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Home > Nitro Compounds > 7796-75-0
7796-75-0 | Benzene, (1-methyl-2-nitroethyl)-
CAS No: 7796-75-0 Catalog No: AG005Q7P MDL No:
Product Description
Catalog Number:
AG005Q7P
Chemical Name:
Benzene, (1-methyl-2-nitroethyl)-
CAS Number:
7796-75-0
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
IUPAC Name:
1-nitropropan-2-ylbenzene
InChI:
InChI=1S/C9H11NO2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChI Key:
PMVHHMCQCDZQCK-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)C[N+](=O)[O-]
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| A surprising observation that oxygen can affect the product enantiopurity of an enzyme-catalysed reaction. | The FEBS journal 20121101 |
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