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Home > Imidazoles > 189560-83-6
189560-83-6 | Carbamic acid, (1H-benzimidazol-2-ylmethyl)-, 1,1-dimethylethyl ester
CAS No: 189560-83-6 Catalog No: AG00I2SB MDL No:MFCD18007689
Product Description
Catalog Number:
AG00I2SB
Chemical Name:
Carbamic acid, (1H-benzimidazol-2-ylmethyl)-, 1,1-dimethylethyl ester
CAS Number:
189560-83-6
Molecular Formula:
C13H17N3O2
Molecular Weight:
247.2930
MDL Number:
MFCD18007689
IUPAC Name:
tert-butyl N-(1H-benzimidazol-2-ylmethyl)carbamate
InChI:
InChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)14-8-11-15-9-6-4-5-7-10(9)16-11/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChI Key:
WRAOGDJKTDDORV-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1nc2c([nH]1)cccc2
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.298g/mol
Monoisotopic Mass:
247.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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