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Home > Nitro Compounds > 139004-81-2
139004-81-2 | Pyridine, 2-methyl-3-nitro-6-phenyl-
CAS No: 139004-81-2 Catalog No: AG001A06 MDL No:
Product Description
Catalog Number:
AG001A06
Chemical Name:
Pyridine, 2-methyl-3-nitro-6-phenyl-
CAS Number:
139004-81-2
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
IUPAC Name:
2-methyl-3-nitro-6-phenylpyridine
InChI:
InChI=1S/C12H10N2O2/c1-9-12(14(15)16)8-7-11(13-9)10-5-3-2-4-6-10/h2-8H,1H3
InChI Key:
BWZAHKZIRQPSCR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(nc1C)c1ccccc1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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