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Home > Thiazole > 1016703-16-4
1016703-16-4 | 2-(N-methyl4-methyl-1,3-thiazole-5-amido)benzoic acid
CAS No: 1016703-16-4 Catalog No: AG01A3QU MDL No:MFCD09804472
Product Description
Catalog Number:
AG01A3QU
Chemical Name:
2-(N-methyl4-methyl-1,3-thiazole-5-amido)benzoic acid
CAS Number:
1016703-16-4
Molecular Formula:
C13H12N2O3S
Molecular Weight:
276.3110
MDL Number:
MFCD09804472
IUPAC Name:
2-[methyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
InChI:
InChI=1S/C13H12N2O3S/c1-8-11(19-7-14-8)12(16)15(2)10-6-4-3-5-9(10)13(17)18/h3-7H,1-2H3,(H,17,18)
InChI Key:
XDVOQRZJLGDTKS-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1scnc1C)c1ccccc1C(=O)O
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.31g/mol
Monoisotopic Mass:
276.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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