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Home > Imidazoles > 83821-08-3
83821-08-3 | Carbamic acid, (5-phenyl-1H-benzimidazol-2-yl)-, ethyl ester
CAS No: 83821-08-3 Catalog No: AG004W12 MDL No:
Product Description
Catalog Number:
AG004W12
Chemical Name:
Carbamic acid, (5-phenyl-1H-benzimidazol-2-yl)-, ethyl ester
CAS Number:
83821-08-3
Molecular Formula:
C16H15N3O2
Molecular Weight:
281.3092
IUPAC Name:
ethyl N-(6-phenyl-1H-benzimidazol-2-yl)carbamate
InChI:
InChI=1S/C16H15N3O2/c1-2-21-16(20)19-15-17-13-9-8-12(10-14(13)18-15)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H2,17,18,19,20)
InChI Key:
UPWFWVPKWFCFJU-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1nc2c([nH]1)ccc(c2)c1ccccc1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.315g/mol
Monoisotopic Mass:
281.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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