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Home > Nitro Compounds > 85020-89-9
85020-89-9 | 2-(4-methoxyanilino)-5-nitrobenzonitrile
CAS No: 85020-89-9 Catalog No: AG00J72B MDL No:MFCD04604665
Product Description
Catalog Number:
AG00J72B
Chemical Name:
2-(4-methoxyanilino)-5-nitrobenzonitrile
CAS Number:
85020-89-9
Molecular Formula:
C14H11N3O3
Molecular Weight:
269.2554
MDL Number:
MFCD04604665
IUPAC Name:
2-(4-methoxyanilino)-5-nitrobenzonitrile
InChI:
InChI=1S/C14H11N3O3/c1-20-13-5-2-11(3-6-13)16-14-7-4-12(17(18)19)8-10(14)9-15/h2-8,16H,1H3
InChI Key:
OLNZLNSNBDIURN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Nc1ccc(cc1C#N)[N+](=O)[O-]
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.26g/mol
Monoisotopic Mass:
269.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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