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103755-01-7 | 3-(4-Thiophen-2-yl-thiazol-2-ylamino)-benzoic acid
CAS No: 103755-01-7 Catalog No: AG01F8X6 MDL No:
Product Description
Catalog Number:
AG01F8X6
Chemical Name:
3-(4-Thiophen-2-yl-thiazol-2-ylamino)-benzoic acid
CAS Number:
103755-01-7
Molecular Formula:
C14H10N2O2S2
Molecular Weight:
302.3714
IUPAC Name:
3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
InChI:
InChI=1S/C14H10N2O2S2/c17-13(18)9-3-1-4-10(7-9)15-14-16-11(8-20-14)12-5-2-6-19-12/h1-8H,(H,15,16)(H,17,18)
InChI Key:
KFKBKYMILRZNTL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)Nc1scc(n1)c1cccs1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.018g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.366g/mol
Monoisotopic Mass:
302.018g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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