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17511-27-2 | Benzonitrile, 5-[methyl(phenylmethyl)amino]-2-nitro-
CAS No: 17511-27-2 Catalog No: AG00205N MDL No:
Product Description
Catalog Number:
AG00205N
Chemical Name:
Benzonitrile, 5-[methyl(phenylmethyl)amino]-2-nitro-
CAS Number:
17511-27-2
Molecular Formula:
C15H13N3O2
Molecular Weight:
267.2826
IUPAC Name:
5-[benzyl(methyl)amino]-2-nitrobenzonitrile
InChI:
InChI=1S/C15H13N3O2/c1-17(11-12-5-3-2-4-6-12)14-7-8-15(18(19)20)13(9-14)10-16/h2-9H,11H2,1H3
InChI Key:
ULDFHYQLQFQSQZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1[N+](=O)[O-])N(Cc1ccccc1)C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.288g/mol
Monoisotopic Mass:
267.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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