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303994-67-4 | Benzamide, 4-(1H-imidazol-1-yl)-
CAS No: 303994-67-4 Catalog No: AG002ZZP MDL No:
Product Description
Catalog Number:
AG002ZZP
Chemical Name:
Benzamide, 4-(1H-imidazol-1-yl)-
CAS Number:
303994-67-4
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
IUPAC Name:
4-imidazol-1-ylbenzamide
InChI:
InChI=1S/C10H9N3O/c11-10(14)8-1-3-9(4-2-8)13-6-5-12-7-13/h1-7H,(H2,11,14)
InChI Key:
VEKNMVRNEBNHNU-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(cc1)n1cncc1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.202g/mol
Monoisotopic Mass:
187.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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