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Home > Imidazoles > 917919-63-2
917919-63-2 | Carbamic acid, N-(5-formyl-1H-imidazol-2-yl)-, phenylmethyl ester
CAS No: 917919-63-2 Catalog No: AG00IGVT MDL No:MFCD21340308
Product Description
Catalog Number:
AG00IGVT
Chemical Name:
Carbamic acid, N-(5-formyl-1H-imidazol-2-yl)-, phenylmethyl ester
CAS Number:
917919-63-2
Molecular Formula:
C12H11N3O3
Molecular Weight:
245.2340
MDL Number:
MFCD21340308
IUPAC Name:
benzyl N-(5-formyl-1H-imidazol-2-yl)carbamate
InChI:
InChI=1S/C12H11N3O3/c16-7-10-6-13-11(14-10)15-12(17)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,13,14,15,17)
InChI Key:
JMJIVNGTCBPYAR-UHFFFAOYSA-N
SMILES:
O=Cc1cnc([nH]1)NC(=O)OCc1ccccc1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.238g/mol
Monoisotopic Mass:
245.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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