Home Halogens Methyl 2-dichloroMethyl-4,5-dihydrothiazole-4-carboxylate

Methyl 2-dichloroMethyl-4,5-dihydrothiazole-4-carboxylate

CAS No.:
321371-28-2
Catalog Number:
AG00CLY9
Molecular Formula:
C6H7Cl2NO2S
Molecular Weight:
228.0963
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Product Description
Catalog Number:
AG00CLY9
Chemical Name:
Methyl 2-dichloroMethyl-4,5-dihydrothiazole-4-carboxylate
CAS Number:
321371-28-2
Molecular Formula:
C6H7Cl2NO2S
Molecular Weight:
228.0963
IUPAC Name:
methyl 2-(dichloromethyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C6H7Cl2NO2S/c1-11-6(10)3-2-12-5(9-3)4(7)8/h3-4H,2H2,1H3
InChI Key:
FYXOIXUWMFLUTC-UHFFFAOYSA-N
SMILES:
COC(=O)C1CSC(=N1)C(Cl)Cl
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.957g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.087g/mol
Monoisotopic Mass:
226.957g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties