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138507-48-9 | Pyridinium, 1-[(phenylamino)carbonyl]-
CAS No: 138507-48-9 Catalog No: AG0019C6 MDL No:
Product Description
Catalog Number:
AG0019C6
Chemical Name:
Pyridinium, 1-[(phenylamino)carbonyl]-
CAS Number:
138507-48-9
Molecular Formula:
C12H11N2O+
Molecular Weight:
199.2285
IUPAC Name:
N-phenylpyridin-1-ium-1-carboxamide
InChI:
InChI=1S/C12H10N2O/c15-12(14-9-5-2-6-10-14)13-11-7-3-1-4-8-11/h1-10H/p+1
InChI Key:
FGOLNIRUHANILM-UHFFFAOYSA-O
SMILES:
O=C([n+]1ccccc1)Nc1ccccc1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.087g/mol
Formal Charge:
1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.233g/mol
Monoisotopic Mass:
199.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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