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89154-04-1 | 2-Pyridinamine, N-methyl-3-nitro-N-phenyl-
CAS No: 89154-04-1 Catalog No: AG003XA9 MDL No:
Product Description
Catalog Number:
AG003XA9
Chemical Name:
2-Pyridinamine, N-methyl-3-nitro-N-phenyl-
CAS Number:
89154-04-1
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
IUPAC Name:
N-methyl-3-nitro-N-phenylpyridin-2-amine
InChI:
InChI=1S/C12H11N3O2/c1-14(10-6-3-2-4-7-10)12-11(15(16)17)8-5-9-13-12/h2-9H,1H3
InChI Key:
DHFOXCFGBDHCRC-UHFFFAOYSA-N
SMILES:
CN(c1ncccc1[N+](=O)[O-])c1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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