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1153985-64-8 | 1H-Benzimidazole-5-carboxylic acid, 1-(1,1-dimethylethyl)-
CAS No: 1153985-64-8 Catalog No: AG000FXA MDL No:MFCD12139958
Product Description
Catalog Number:
AG000FXA
Chemical Name:
1H-Benzimidazole-5-carboxylic acid, 1-(1,1-dimethylethyl)-
CAS Number:
1153985-64-8
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD12139958
IUPAC Name:
1-tert-butylbenzimidazole-5-carboxylic acid
InChI:
InChI=1S/C12H14N2O2/c1-12(2,3)14-7-13-9-6-8(11(15)16)4-5-10(9)14/h4-7H,1-3H3,(H,15,16)
InChI Key:
FSOOAHYUSUSXLS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)ncn2C(C)(C)C
Properties
Complexity:
285
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:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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