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1009620-97-6,MFCD11052346
Catalog No.:AA000396
1009620-97-6 | Ethyl 5-(chloromethyl)-1,2,4-oxadiazole-3-carboxylate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$230.00   $161.00
- +
1g
95%
in stock  
$498.00   $349.00
- +
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Technical Information
Catalog Number:
AA000396
Chemical Name:
Ethyl 5-(chloromethyl)-1,2,4-oxadiazole-3-carboxylate
CAS Number:
1009620-97-6
Molecular Formula:
C6H7ClN2O3
Molecular Weight:
190.5844
MDL Number:
MFCD11052346
IUPAC Name:
ethyl 5-(chloromethyl)-1,2,4-oxadiazole-3-carboxylate
InChI:
InChI=1S/C6H7ClN2O3/c1-2-11-6(10)5-8-4(3-7)12-9-5/h2-3H2,1H3
InChI Key:
AUTFGCQEAOOQAR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1noc(n1)CCl
Properties
Computed Properties
 
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.015g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.583g/mol
Monoisotopic Mass:
190.015g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
ethyl 5-(chloromethyl)-1,2,4-oxadiazole-3-carboxylate 
1009620-97-6 
MFCD11052346 
SBB091191 
ZINC43220516 
AKOS005146382 
DS-1062 
RP25017 
AN-25976 
BR-40600 
CJ-20372 
SC-14657 
ethyl5-(chloromethyl)-1,2,4-oxadiazole-3-carboxylate 
AB0001145 
AJ-108509 
DB-026590 
TC-061709 
4CH-008814 
AM20070658 
FT-0083498 
FT-0651464 
ST24030632 
X8538 
SCHEMBL3214456 
S-5410 
J-521069 
I14-10208 
Ethyl 5-chloromethyl-[1,2,4]-oxadiazole-3-carboxylate 
ETHYL 5-CHLOROMETHYL-[1,2,4]OXADIAZOLE-3-CARBOXYLA 
ETHYL 5-CHLOROMETHYL-[1,2,4]OXADIAZOLE-3-CARBOXYLATE 
1,2,4-Oxadiazole-3-carboxylic acid, 5-(chloromethyl)-, ethyl ester 
C6H7ClN2O3 
A15053 
5-(chloromethyl)-1,2,4-Oxadiazole-3-carboxylic acid ethyl ester 
CTK3J9399 
1-Benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 
KS-00000HYY 
DTXSID80654863 
BCP26455 
ANW-49321 
CE-804 
Literature
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