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168127-38-6 | Acetic acid, 2-[4-[2-[(4-chlorophenyl)amino]-4-thiazolyl]phenoxy]-
CAS No: 168127-38-6 Catalog No: AG001XTL MDL No:
Product Description
Catalog Number:
AG001XTL
Chemical Name:
Acetic acid, 2-[4-[2-[(4-chlorophenyl)amino]-4-thiazolyl]phenoxy]-
CAS Number:
168127-38-6
Molecular Formula:
C17H13ClN2O3S
Molecular Weight:
360.8147
IUPAC Name:
2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetic acid
InChI:
InChI=1S/C17H13ClN2O3S/c18-12-3-5-13(6-4-12)19-17-20-15(10-24-17)11-1-7-14(8-2-11)23-9-16(21)22/h1-8,10H,9H2,(H,19,20)(H,21,22)
InChI Key:
LVLVXZIMRQHNEJ-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1)c1csc(n1)Nc1ccc(cc1)Cl
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.034g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.812g/mol
Monoisotopic Mass:
360.034g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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