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1017782-07-8 | 2-Pyridinamine, 6-methoxy-3-nitro-5-phenyl-
CAS No: 1017782-07-8 Catalog No: AG0005IE MDL No:MFCD09997887
Product Description
Catalog Number:
AG0005IE
Chemical Name:
2-Pyridinamine, 6-methoxy-3-nitro-5-phenyl-
CAS Number:
1017782-07-8
Molecular Formula:
C12H11N3O3
Molecular Weight:
245.2340
MDL Number:
MFCD09997887
IUPAC Name:
6-methoxy-3-nitro-5-phenylpyridin-2-amine
InChI:
InChI=1S/C12H11N3O3/c1-18-12-9(8-5-3-2-4-6-8)7-10(15(16)17)11(13)14-12/h2-7H,1H3,(H2,13,14)
InChI Key:
KUIKZCDSDMGWER-UHFFFAOYSA-N
SMILES:
COc1nc(N)c(cc1c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.238g/mol
Monoisotopic Mass:
245.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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