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30132-15-1 | 2-(2-Aminobenzo[d]thiazol-6-yl)acetic acid
CAS No: 30132-15-1 Catalog No: AG003BLJ MDL No:MFCD04035548
Product Description
Catalog Number:
AG003BLJ
Chemical Name:
2-(2-Aminobenzo[d]thiazol-6-yl)acetic acid
CAS Number:
30132-15-1
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
MDL Number:
MFCD04035548
IUPAC Name:
2-(2-amino-1,3-benzothiazol-6-yl)acetic acid
InChI:
InChI=1S/C9H8N2O2S/c10-9-11-6-2-1-5(4-8(12)13)3-7(6)14-9/h1-3H,4H2,(H2,10,11)(H,12,13)
InChI Key:
NHWREWFNNXLTDT-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc2c(c1)sc(n2)N
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^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 |
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