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10174-63-7 | 2-Oxiranecarboxylic acid, 3-(trichloromethyl)-, ethyl ester
CAS No: 10174-63-7 Catalog No: AG0005DG MDL No:
Product Description
Catalog Number:
AG0005DG
Chemical Name:
2-Oxiranecarboxylic acid, 3-(trichloromethyl)-, ethyl ester
CAS Number:
10174-63-7
Molecular Formula:
C6H7Cl3O3
Molecular Weight:
233.4770
IUPAC Name:
ethyl 3-(trichloromethyl)oxirane-2-carboxylate
InChI:
InChI=1S/C6H7Cl3O3/c1-2-11-5(10)3-4(12-3)6(7,8)9/h3-4H,2H2,1H3
InChI Key:
RBBLXYPYAFKWHX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1OC1C(Cl)(Cl)Cl
NSC Number:
128847
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.946g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.469g/mol
Monoisotopic Mass:
231.946g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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