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6957-89-7 | Acetic acid,2,2-dichloro-2-ethoxy-, ethyl ester
CAS No: 6957-89-7 Catalog No: AG005K4D MDL No:MFCD26517126
Product Description
Catalog Number:
AG005K4D
Chemical Name:
Acetic acid,2,2-dichloro-2-ethoxy-, ethyl ester
CAS Number:
6957-89-7
Molecular Formula:
C6H10Cl2O3
Molecular Weight:
201.0478
MDL Number:
MFCD26517126
IUPAC Name:
ethyl 2,2-dichloro-2-ethoxyacetate
InChI:
InChI=1S/C6H10Cl2O3/c1-3-10-5(9)6(7,8)11-4-2/h3-4H2,1-2H3
InChI Key:
LISFRSVACTWQKK-UHFFFAOYSA-N
SMILES:
CCOC(=O)COCC(Cl)Cl
NSC Number:
65348
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.001g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.043g/mol
Monoisotopic Mass:
200.001g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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