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1303614-25-6 | 2-Pyridinecarboxylic acid, 6-(1H-benzimidazol-2-yl)-, methyl ester
CAS No: 1303614-25-6 Catalog No: AG000UAL MDL No:MFCD22378001
Product Description
Catalog Number:
AG000UAL
Chemical Name:
2-Pyridinecarboxylic acid, 6-(1H-benzimidazol-2-yl)-, methyl ester
CAS Number:
1303614-25-6
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
MDL Number:
MFCD22378001
IUPAC Name:
methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate
InChI:
InChI=1S/C14H11N3O2/c1-19-14(18)12-8-4-7-11(15-12)13-16-9-5-2-3-6-10(9)17-13/h2-8H,1H3,(H,16,17)
InChI Key:
IJQQTXVORWKXQR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(n1)c1nc2c([nH]1)cccc2
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.261g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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