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77474-99-8 | Carbamic acid, 1H-benzimidazol-2-yl-, 1,1-dimethylethyl ester
CAS No: 77474-99-8 Catalog No: AG008MPN MDL No:
Product Description
Catalog Number:
AG008MPN
Chemical Name:
Carbamic acid, 1H-benzimidazol-2-yl-, 1,1-dimethylethyl ester
CAS Number:
77474-99-8
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
IUPAC Name:
tert-butyl N-(1H-benzimidazol-2-yl)carbamate
InChI:
InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-10-13-8-6-4-5-7-9(8)14-10/h4-7H,1-3H3,(H2,13,14,15,16)
InChI Key:
JMRLHZJPLGCDSR-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1nc2c([nH]1)cccc2
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.271g/mol
Monoisotopic Mass:
233.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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