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66631-29-6 | 4-(1H-Benzoimidazol-2-yl)-benzoic acid
CAS No: 66631-29-6 Catalog No: AG00FCZ1 MDL No:MFCD00443919
Product Description
Catalog Number:
AG00FCZ1
Chemical Name:
4-(1H-Benzoimidazol-2-yl)-benzoic acid
CAS Number:
66631-29-6
MDL Number:
MFCD00443919
IUPAC Name:
4-(1H-benzimidazol-2-yl)benzoic acid
InChI:
InChI=1S/C14H10N2O2/c17-14(18)10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,(H,15,16)(H,17,18)
InChI Key:
UMZBLZRCSSUXQR-UHFFFAOYSA-N
Properties
Complexity:
313
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 |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 4-(1H-Benzimidazol-3-ium-2-yl)benzoate dihydrate. | Acta crystallographica. Section C, Crystal structure communications 20010201 |
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