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1199773-37-9 | 1H-Benzimidazole-6-carboxylic acid, 1-cyclohexyl-, methyl ester
CAS No: 1199773-37-9 Catalog No: AG000PX5 MDL No:MFCD13195710
Product Description
Catalog Number:
AG000PX5
Chemical Name:
1H-Benzimidazole-6-carboxylic acid, 1-cyclohexyl-, methyl ester
CAS Number:
1199773-37-9
Molecular Formula:
C15H18N2O2
Molecular Weight:
258.3156
MDL Number:
MFCD13195710
IUPAC Name:
methyl 3-cyclohexylbenzimidazole-5-carboxylate
InChI:
InChI=1S/C15H18N2O2/c1-19-15(18)11-7-8-13-14(9-11)17(10-16-13)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3
InChI Key:
IVJHQJLKFGEDQN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)n(cn2)C1CCCCC1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.137g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.321g/mol
Monoisotopic Mass:
258.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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