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5450-30-6 | (6-Bromo-1H-benzoimidazol-2-ylsulfanyl)-acetic acid
CAS No: 5450-30-6 Catalog No: AG01EWEW MDL No:
Product Description
Catalog Number:
AG01EWEW
Chemical Name:
(6-Bromo-1H-benzoimidazol-2-ylsulfanyl)-acetic acid
CAS Number:
5450-30-6
Molecular Formula:
C9H7BrN2O2S
Molecular Weight:
287.1331
IUPAC Name:
2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetic acid
InChI:
InChI=1S/C9H7BrN2O2S/c10-5-1-2-6-7(3-5)12-9(11-6)15-4-8(13)14/h1-3H,4H2,(H,11,12)(H,13,14)
InChI Key:
YZUCCCLXSHUOBJ-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1nc2c([nH]1)cc(cc2)Br
NSC Number:
14184
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.941g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.131g/mol
Monoisotopic Mass:
285.941g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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