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18480-53-0

18480-53-0 | 5-Isothiazolecarboxylicacid, 3,4-dichloro-

CAS No: 18480-53-0 Catalog No: AG00387G MDL No:MFCD03789232

Product Description

Catalog Number:
AG00387G
Chemical Name:
5-Isothiazolecarboxylicacid, 3,4-dichloro-
CAS Number:
18480-53-0
Molecular Formula:
C4HCl2NO2S
Molecular Weight:
198.0272
MDL Number:
MFCD03789232
IUPAC Name:
3,4-dichloro-1,2-thiazole-5-carboxylic acid
InChI:
InChI=1S/C4HCl2NO2S/c5-1-2(4(8)9)10-7-3(1)6/h(H,8,9)
InChI Key:
HQZKNCJWLIWCSV-UHFFFAOYSA-N
SMILES:
OC(=O)c1snc(c1Cl)Cl
EC Number:
619-518-9
UNII:
1C7254T4E6

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  

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