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13053-89-9 | Benzamide, N-2-pyrimidinyl-
CAS No: 13053-89-9 Catalog No: AG000UKL MDL No:
Product Description
Catalog Number:
AG000UKL
Chemical Name:
Benzamide, N-2-pyrimidinyl-
CAS Number:
13053-89-9
Molecular Formula:
C11H9N3O
Molecular Weight:
199.2087
IUPAC Name:
N-pyrimidin-2-ylbenzamide
InChI:
InChI=1S/C11H9N3O/c15-10(9-5-2-1-3-6-9)14-11-12-7-4-8-13-11/h1-8H,(H,12,13,14,15)
InChI Key:
QBRCMHSAOZCHQH-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1ncccn1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.213g/mol
Monoisotopic Mass:
199.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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