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131947-11-0

131947-11-0 | Isothiazole, 4-chloro-5-(1-methylethoxy)-3-(trichloromethyl)-

CAS No: 131947-11-0 Catalog No: AG000ZXZ MDL No:

Product Description

Catalog Number:
AG000ZXZ
Chemical Name:
Isothiazole, 4-chloro-5-(1-methylethoxy)-3-(trichloromethyl)-
CAS Number:
131947-11-0
Molecular Formula:
C7H7Cl4NOS
Molecular Weight:
295.0136
IUPAC Name:
4-chloro-5-propan-2-yloxy-3-(trichloromethyl)-1,2-thiazole
InChI:
InChI=1S/C7H7Cl4NOS/c1-3(2)13-6-4(8)5(12-14-6)7(9,10)11/h3H,1-2H3
InChI Key:
VZLRDGKZPROSFV-UHFFFAOYSA-N
SMILES:
CC(Oc1snc(c1Cl)C(Cl)(Cl)Cl)C

Properties

Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.897g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.999g/mol
Monoisotopic Mass:
292.9g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

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