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124340-76-7 | 1H-Benzimidazole-7-carboxylic acid, 2-(2-furanyl)-
CAS No: 124340-76-7 Catalog No: AG000LW0 MDL No:MFCD06660423
Product Description
Catalog Number:
AG000LW0
Chemical Name:
1H-Benzimidazole-7-carboxylic acid, 2-(2-furanyl)-
CAS Number:
124340-76-7
Molecular Formula:
C12H8N2O3
Molecular Weight:
228.2035
MDL Number:
MFCD06660423
IUPAC Name:
2-(furan-2-yl)-1H-benzimidazole-4-carboxylic acid
InChI:
InChI=1S/C12H8N2O3/c15-12(16)7-3-1-4-8-10(7)14-11(13-8)9-5-2-6-17-9/h1-6H,(H,13,14)(H,15,16)
InChI Key:
PJIHCVZPLGUTGB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1[nH]c(n2)c1ccco1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.207g/mol
Monoisotopic Mass:
228.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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