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1009620-97-6 | 1,2,4-Oxadiazole-3-carboxylic acid, 5-(chloromethyl)-, ethyl ester
CAS No: 1009620-97-6 Catalog No: AG0003BY MDL No:MFCD11052346
Product Description
Catalog Number:
AG0003BY
Chemical Name:
1,2,4-Oxadiazole-3-carboxylic acid, 5-(chloromethyl)-, ethyl ester
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
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
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