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Home > Nitro Compounds > 136764-92-6
136764-92-6 | Benzeneacetonitrile, α,α-dimethyl-2-nitro-
CAS No: 136764-92-6 Catalog No: AG0012B8 MDL No:MFCD11036616
Product Description
Catalog Number:
AG0012B8
Chemical Name:
Benzeneacetonitrile, α,α-dimethyl-2-nitro-
CAS Number:
136764-92-6
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD11036616
IUPAC Name:
2-methyl-2-(2-nitrophenyl)propanenitrile
InChI:
InChI=1S/C10H10N2O2/c1-10(2,7-11)8-5-3-4-6-9(8)12(13)14/h3-6H,1-2H3
InChI Key:
NLFNDKHBKNEPGT-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1[N+](=O)[O-])(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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