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Home > Nitro Compounds > 945299-11-6
945299-11-6 | 2-(2,5-dimethoxyanilino)-5-nitrobenzonitrile
CAS No: 945299-11-6 Catalog No: AG00J71R MDL No:MFCD09455388
Product Description
Catalog Number:
AG00J71R
Chemical Name:
2-(2,5-dimethoxyanilino)-5-nitrobenzonitrile
CAS Number:
945299-11-6
Molecular Formula:
C15H13N3O4
Molecular Weight:
299.2814
MDL Number:
MFCD09455388
IUPAC Name:
2-(2,5-dimethoxyanilino)-5-nitrobenzonitrile
InChI:
InChI=1S/C15H13N3O4/c1-21-12-4-6-15(22-2)14(8-12)17-13-5-3-11(18(19)20)7-10(13)9-16/h3-8,17H,1-2H3
InChI Key:
KTYMFHWPEAFSQO-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)Nc1ccc(cc1C#N)[N+](=O)[O-])OC
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.091g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.286g/mol
Monoisotopic Mass:
299.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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