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Home > Nitro Compounds > 164219-72-1
164219-72-1 | Methanone, (3-nitro-4-pyridinyl)phenyl-
CAS No: 164219-72-1 Catalog No: AG001UPD MDL No:
Product Description
Catalog Number:
AG001UPD
Chemical Name:
Methanone, (3-nitro-4-pyridinyl)phenyl-
CAS Number:
164219-72-1
Molecular Formula:
C12H8N2O3
Molecular Weight:
228.2035
IUPAC Name:
(3-nitropyridin-4-yl)-phenylmethanone
InChI:
InChI=1S/C12H8N2O3/c15-12(9-4-2-1-3-5-9)10-6-7-13-8-11(10)14(16)17/h1-8H
InChI Key:
QUPMIVUMNSOULW-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1[N+](=O)[O-])c1ccccc1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.207g/mol
Monoisotopic Mass:
228.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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