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Home > Nitro Compounds > 91192-25-5
91192-25-5 | Benzeneacetonitrile, 3-methyl-2-nitro-
CAS No: 91192-25-5 Catalog No: AG00IGJ4 MDL No:
Product Description
Catalog Number:
AG00IGJ4
Chemical Name:
Benzeneacetonitrile, 3-methyl-2-nitro-
CAS Number:
91192-25-5
IUPAC Name:
2-(3-methyl-2-nitrophenyl)acetonitrile
InChI:
InChI=1S/C9H8N2O2/c1-7-3-2-4-8(5-6-10)9(7)11(12)13/h2-4H,5H2,1H3
InChI Key:
QRUQKLCGZUEVHE-UHFFFAOYSA-N
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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