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Home > Nitro Compounds > 876556-20-6
876556-20-6 | 2-(3,5-dimethylanilino)-5-nitrobenzonitrile
CAS No: 876556-20-6 Catalog No: AG00J729 MDL No:MFCD07707146
Product Description
Catalog Number:
AG00J729
Chemical Name:
2-(3,5-dimethylanilino)-5-nitrobenzonitrile
CAS Number:
876556-20-6
Molecular Formula:
C15H13N3O2
Molecular Weight:
267.2826
MDL Number:
MFCD07707146
IUPAC Name:
2-(3,5-dimethylanilino)-5-nitrobenzonitrile
InChI:
InChI=1S/C15H13N3O2/c1-10-5-11(2)7-13(6-10)17-15-4-3-14(18(19)20)8-12(15)9-16/h3-8,17H,1-2H3
InChI Key:
XGQYXWMGUBNOQL-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1Nc1cc(C)cc(c1)C)[N+](=O)[O-]
Properties
Complexity:
388
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:
1
Isotope Atom Count:
0
Molecular Weight:
267.288g/mol
Monoisotopic Mass:
267.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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