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127119-07-7 | 1H-Benzimidazole-1-carboxylic acid, 1,1-dimethylethyl ester
CAS No: 127119-07-7 Catalog No: AG000WOO MDL No:MFCD13176729
Product Description
Catalog Number:
AG000WOO
Chemical Name:
1H-Benzimidazole-1-carboxylic acid, 1,1-dimethylethyl ester
CAS Number:
127119-07-7
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD13176729
IUPAC Name:
tert-butyl benzimidazole-1-carboxylate
InChI:
InChI=1S/C12H14N2O2/c1-12(2,3)16-11(15)14-8-13-9-6-4-5-7-10(9)14/h4-8H,1-3H3
InChI Key:
CROWJIMGVQLMPG-UHFFFAOYSA-N
SMILES:
O=C(n1cnc2c1cccc2)OC(C)(C)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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