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Home > Imidazoles > 135611-31-3
135611-31-3 | 3-IMIDAZOL-1-YLMETHYL-BENZOIC ACID
CAS No: 135611-31-3 Catalog No: AG009BBN MDL No:MFCD07643273
Product Description
Catalog Number:
AG009BBN
Chemical Name:
3-IMIDAZOL-1-YLMETHYL-BENZOIC ACID
CAS Number:
135611-31-3
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD07643273
IUPAC Name:
3-(imidazol-1-ylmethyl)benzoic acid
InChI:
InChI=1S/C11H10N2O2/c14-11(15)10-3-1-2-9(6-10)7-13-5-4-12-8-13/h1-6,8H,7H2,(H,14,15)
InChI Key:
IGQPNWMJMSQCKW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)Cn1cncc1
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| A structure-permeability study of small drug-like molecules. | Bioorganic & medicinal chemistry letters 20030224 |
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