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36128-66-2 | Carbamic acid, 1H-benzimidazol-2-yl-, 1-methylethyl ester
CAS No: 36128-66-2 Catalog No: AG007BDM MDL No:
Product Description
Catalog Number:
AG007BDM
Chemical Name:
Carbamic acid, 1H-benzimidazol-2-yl-, 1-methylethyl ester
CAS Number:
36128-66-2
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
IUPAC Name:
propan-2-yl N-(1H-benzimidazol-2-yl)carbamate
InChI:
InChI=1S/C11H13N3O2/c1-7(2)16-11(15)14-10-12-8-5-3-4-6-9(8)13-10/h3-7H,1-2H3,(H2,12,13,14,15)
InChI Key:
MRLIFCWKRQTRBG-UHFFFAOYSA-N
SMILES:
CC(OC(=O)Nc1nc2c([nH]1)cccc2)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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