Home Carboxys 2-[(3,5-difluorophenyl)amino]-1,3-thiazole-4-carboxylic acid

2-[(3,5-difluorophenyl)amino]-1,3-thiazole-4-carboxylic acid

CAS No.:
1508051-73-7
Catalog Number:
AG01AN9G
Molecular Formula:
C10H6F2N2O2S
Molecular Weight:
256.2286
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Product Description
Catalog Number:
AG01AN9G
Chemical Name:
2-[(3,5-difluorophenyl)amino]-1,3-thiazole-4-carboxylic acid
CAS Number:
1508051-73-7
Molecular Formula:
C10H6F2N2O2S
Molecular Weight:
256.2286
MDL Number:
MFCD23441241
IUPAC Name:
2-(3,5-difluoroanilino)-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C10H6F2N2O2S/c11-5-1-6(12)3-7(2-5)13-10-14-8(4-17-10)9(15)16/h1-4H,(H,13,14)(H,15,16)
InChI Key:
ZTRXYXVUWRYNDJ-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)F)Nc1scc(n1)C(=O)O
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.012g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
256.227g/mol
Monoisotopic Mass:
256.012g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties