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72647-41-7 | Ethanone, 2-amino-2-phenyl-1-(3-pyridinyl)-
CAS No: 72647-41-7 Catalog No: AG005FS6 MDL No:
Product Description
Catalog Number:
AG005FS6
Chemical Name:
Ethanone, 2-amino-2-phenyl-1-(3-pyridinyl)-
CAS Number:
72647-41-7
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
IUPAC Name:
2-amino-2-phenyl-1-pyridin-3-ylethanone
InChI:
InChI=1S/C13H12N2O/c14-12(10-5-2-1-3-6-10)13(16)11-7-4-8-15-9-11/h1-9,12H,14H2
InChI Key:
KIIGKQHJIPUZKH-UHFFFAOYSA-N
SMILES:
NC(C(=O)c1cccnc1)c1ccccc1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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