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918341-89-6 | 4-Thiazoleacetic acid, 2-[(3-chloro-4-methylphenyl)amino]-
CAS No: 918341-89-6 Catalog No: AG006G4K MDL No:
Product Description
Catalog Number:
AG006G4K
Chemical Name:
4-Thiazoleacetic acid, 2-[(3-chloro-4-methylphenyl)amino]-
CAS Number:
918341-89-6
Molecular Formula:
C12H11ClN2O2S
Molecular Weight:
282.7459
IUPAC Name:
2-[2-(3-chloro-4-methylanilino)-1,3-thiazol-4-yl]acetic acid
InChI:
InChI=1S/C12H11ClN2O2S/c1-7-2-3-8(4-10(7)13)14-12-15-9(6-18-12)5-11(16)17/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)
InChI Key:
LCPLXZPFNGYQSX-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csc(n1)Nc1ccc(c(c1)Cl)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.023g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.742g/mol
Monoisotopic Mass:
282.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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