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131947-13-2 | 3-Isothiazolecarboxylic acid, 4,5-dichloro-
CAS No: 131947-13-2 Catalog No: AG000ZXY MDL No:MFCD00186468
Product Description
Catalog Number:
AG000ZXY
Chemical Name:
3-Isothiazolecarboxylic acid, 4,5-dichloro-
CAS Number:
131947-13-2
Molecular Formula:
C4HCl2NO2S
Molecular Weight:
198.0272
MDL Number:
MFCD00186468
IUPAC Name:
4,5-dichloro-1,2-thiazole-3-carboxylic acid
InChI:
InChI=1S/C4HCl2NO2S/c5-1-2(4(8)9)7-10-3(1)6/h(H,8,9)
InChI Key:
ZFEHQZVNKOESSZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1nsc(c1Cl)Cl
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.911g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.017g/mol
Monoisotopic Mass:
196.911g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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