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165682-81-5 | 2-(2-Chloro-phenylamino)-thiazole-4-carboxylic acid
CAS No: 165682-81-5 Catalog No: AG01F8UH MDL No:MFCD04117339
Product Description
Catalog Number:
AG01F8UH
Chemical Name:
2-(2-Chloro-phenylamino)-thiazole-4-carboxylic acid
CAS Number:
165682-81-5
Molecular Formula:
C10H7ClN2O2S
Molecular Weight:
254.6928
MDL Number:
MFCD04117339
IUPAC Name:
2-(2-chloroanilino)-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C10H7ClN2O2S/c11-6-3-1-2-4-7(6)12-10-13-8(5-16-10)9(14)15/h1-5H,(H,12,13)(H,14,15)
InChI Key:
OMOCHAFOYVWXNL-UHFFFAOYSA-N
SMILES:
Clc1ccccc1Nc1scc(n1)C(=O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.992g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.688g/mol
Monoisotopic Mass:
253.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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