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17640-25-4 | Acetic acid, 2,2-dichloro-2-methoxy-, methyl ester
CAS No: 17640-25-4 Catalog No: AG0024NI MDL No:MFCD00012202
Product Description
Catalog Number:
AG0024NI
Chemical Name:
Acetic acid, 2,2-dichloro-2-methoxy-, methyl ester
CAS Number:
17640-25-4
Molecular Formula:
C4H6Cl2O3
Molecular Weight:
172.9946
MDL Number:
MFCD00012202
IUPAC Name:
methyl 2,2-dichloro-2-methoxyacetate
InChI:
InChI=1S/C4H6Cl2O3/c1-8-3(7)4(5,6)9-2/h1-2H3
InChI Key:
FWIGIASHGJFYOL-UHFFFAOYSA-N
SMILES:
COC(=O)C(OC)(Cl)Cl
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.969g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.989g/mol
Monoisotopic Mass:
171.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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