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Home > Imidazoles > 149047-31-4
149047-31-4 | N-[(4-chlorophenyl)methyl]-1H-imidazole-1-carboxamide
CAS No: 149047-31-4 Catalog No: AG01AB0H MDL No:MFCD11099712
Product Description
Catalog Number:
AG01AB0H
Chemical Name:
N-[(4-chlorophenyl)methyl]-1H-imidazole-1-carboxamide
CAS Number:
149047-31-4
Molecular Formula:
C11H10ClN3O
Molecular Weight:
235.6696
MDL Number:
MFCD11099712
IUPAC Name:
N-[(4-chlorophenyl)methyl]imidazole-1-carboxamide
InChI:
InChI=1S/C11H10ClN3O/c12-10-3-1-9(2-4-10)7-14-11(16)15-6-5-13-8-15/h1-6,8H,7H2,(H,14,16)
InChI Key:
VPNJCWHBPDNXKT-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CNC(=O)n1cncc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.671g/mol
Monoisotopic Mass:
235.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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