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Home > Pyridines > 1260806-15-2
1260806-15-2 | Carbamic acid, N-(5-cyano-2-pyridinyl)-, phenylmethyl ester
CAS No: 1260806-15-2 Catalog No: AG000RBZ MDL No:MFCD11976447
Product Description
Catalog Number:
AG000RBZ
Chemical Name:
Carbamic acid, N-(5-cyano-2-pyridinyl)-, phenylmethyl ester
CAS Number:
1260806-15-2
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
MDL Number:
MFCD11976447
IUPAC Name:
1-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenoxy)methyl]benzimidazole
InChI:
InChI=1S/C22H19ClN2O2/c1-26-20-8-4-5-9-21(20)27-15-22-24-18-6-2-3-7-19(18)25(22)14-16-10-12-17(23)13-11-16/h2-13H,14-15H2,1H3
InChI Key:
PFGKXWHZFYXEJW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)NC(=O)OCc1ccccc1
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.114g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.856g/mol
Monoisotopic Mass:
378.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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