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100960-16-5,MFCD10697515
Catalog No.:AA00038T
100960-16-5 | Ethyl 4-(chloromethyl)thiazole-2-carboxylate
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00038T
Chemical Name:
Ethyl 4-(chloromethyl)thiazole-2-carboxylate
CAS Number:
100960-16-5
Molecular Formula:
C7H8ClNO2S
Molecular Weight:
205.6619
MDL Number:
MFCD10697515
IUPAC Name:
ethyl 4-(chloromethyl)-1,3-thiazole-2-carboxylate
InChI:
InChI=1S/C7H8ClNO2S/c1-2-11-7(10)6-9-5(3-8)4-12-6/h4H,2-3H2,1H3
InChI Key:
JSYOQGQNLKDSGQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1scc(n1)CCl
Properties
Computed Properties
 
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.996g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.656g/mol
Monoisotopic Mass:
204.996g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
Ethyl 4-(chloromethyl)-1,3-thiazole-2-carboxylate 
100960-16-5 
KS-000025IA 
7299AC 
MFCD10697515 
STL453424 
ZINC32627228 
AKOS009157469 
AB59805 
GF-0727 
MCULE-8880360519 
RP11985 
ETHYL 4-(CHLOROMETHYL)THIAZOLE-2-CARBOXYLATE 
AJ-85412 
ethyl 4-chloromethylthiazole-2-carboxylate 
RT-012600 
FT-0684434 
EN300-37232 
Z-0671 
J-000290 
J-520935 
4-chloromethyl-thiazole-2-carboxylic acid ethyl ester 
I14-28769 
2-Thiazolecarboxylic acid, 4-(chloromethyl)-, ethyl ester 
2-thiazolecarboxylic acid,4-(chloromethyl)-,ethyl ester 
C7H8ClNO2S 
CID10822129 
2-Thiazolecarboxylic acid, 4-(chloromethyl)-, ethyl ester (6CI,9CI) 
AC1Q34DI 
SCHEMBL855435 
CTK6F8167 
DTXSID10445362 
ethylchloromethylthiazolecarboxylate 
JSYOQGQNLKDSGQ-UHFFFAOYSA-N 
Literature
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