200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 247088-99-9
247088-99-9 | Benzoic acid, 2-[(2-methyl-1H-imidazol-1-yl)carbonyl]-
CAS No: 247088-99-9 Catalog No: AG002P4O MDL No:MFCD00443948
Product Description
Catalog Number:
AG002P4O
Chemical Name:
Benzoic acid, 2-[(2-methyl-1H-imidazol-1-yl)carbonyl]-
CAS Number:
247088-99-9
Molecular Formula:
C12H10N2O3
Molecular Weight:
230.2194
MDL Number:
MFCD00443948
IUPAC Name:
2-(2-methylimidazole-1-carbonyl)benzoic acid
InChI:
InChI=1S/C12H10N2O3/c1-8-13-6-7-14(8)11(15)9-4-2-3-5-10(9)12(16)17/h2-7H,1H3,(H,16,17)
InChI Key:
NZNSEDVIXKALDG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1C(=O)n1ccnc1C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.223g/mol
Monoisotopic Mass:
230.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.