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Home > Imidazoles > 402944-81-4
402944-81-4 | 3-(1H-Benzo[d]imidazol-2-yl)benzoic acid
CAS No: 402944-81-4 Catalog No: AG0073PQ MDL No:MFCD02323224
Product Description
Catalog Number:
AG0073PQ
Chemical Name:
3-(1H-Benzo[d]imidazol-2-yl)benzoic acid
CAS Number:
402944-81-4
Molecular Formula:
C14H10N2O2
Molecular Weight:
238.2414
MDL Number:
MFCD02323224
IUPAC Name:
3-(1H-benzimidazol-2-yl)benzoic acid
InChI:
InChI=1S/C14H10N2O2/c17-14(18)10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,(H,15,16)(H,17,18)
InChI Key:
BQKXFNQLZLSSEP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1nc2c([nH]1)cccc2
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.246g/mol
Monoisotopic Mass:
238.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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