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101012-16-2 | 2-Thiazolecarboxylic acid, 5-chloro-
CAS No: 101012-16-2 Catalog No: AG0003JJ MDL No:MFCD10000587
Product Description
Catalog Number:
AG0003JJ
Chemical Name:
2-Thiazolecarboxylic acid, 5-chloro-
CAS Number:
101012-16-2
Molecular Formula:
C4H2ClNO2S
Molecular Weight:
163.5822
MDL Number:
MFCD10000587
IUPAC Name:
5-chloro-1,3-thiazole-2-carboxylic acid
InChI:
InChI=1S/C4H2ClNO2S/c5-2-1-6-3(9-2)4(7)8/h1H,(H,7,8)
InChI Key:
JZFTYFVKMBSMFP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncc(s1)Cl
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.949g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.575g/mol
Monoisotopic Mass:
162.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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