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435342-07-7 | 3-(2-ETHYL-BENZOIMIDAZOL-1-YL)-2-METHYL-PROPIONIC ACID
CAS No: 435342-07-7 Catalog No: AG00D993 MDL No:
Product Description
Catalog Number:
AG00D993
Chemical Name:
3-(2-ETHYL-BENZOIMIDAZOL-1-YL)-2-METHYL-PROPIONIC ACID
CAS Number:
435342-07-7
IUPAC Name:
3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoic acid
InChI:
InChI=1S/C13H16N2O2/c1-3-12-14-10-6-4-5-7-11(10)15(12)8-9(2)13(16)17/h4-7,9H,3,8H2,1-2H3,(H,16,17)
InChI Key:
CVVGRNCBKTYVCX-UHFFFAOYSA-N
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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