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100142-85-6 | Benzoic acid, 4-[(4,5-dimethyl-2-thiazolyl)amino]-
CAS No: 100142-85-6 Catalog No: AG00013P MDL No:MFCD05790558
Product Description
Catalog Number:
AG00013P
Chemical Name:
Benzoic acid, 4-[(4,5-dimethyl-2-thiazolyl)amino]-
CAS Number:
100142-85-6
Molecular Formula:
C12H12N2O2S
Molecular Weight:
248.3009
MDL Number:
MFCD05790558
IUPAC Name:
4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]benzoic acid
InChI:
InChI=1S/C12H12N2O2S/c1-7-8(2)17-12(13-7)14-10-5-3-9(4-6-10)11(15)16/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChI Key:
WLHWGCUWEBQIQP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)Nc1sc(c(n1)C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.3g/mol
Monoisotopic Mass:
248.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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