Home Halogens methyl 2-chloro-2-(3-chlorophenyl)acetate

methyl 2-chloro-2-(3-chlorophenyl)acetate

CAS No.:
91085-55-1
Catalog Number:
AG01AIAC
Molecular Formula:
C9H8Cl2O2
Molecular Weight:
219.0646
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Product Description
Catalog Number:
AG01AIAC
Chemical Name:
methyl 2-chloro-2-(3-chlorophenyl)acetate
CAS Number:
91085-55-1
Molecular Formula:
C9H8Cl2O2
Molecular Weight:
219.0646
MDL Number:
MFCD16694230
IUPAC Name:
methyl 2-chloro-2-(3-chlorophenyl)acetate
InChI:
InChI=1S/C9H8Cl2O2/c1-13-9(12)8(11)6-3-2-4-7(10)5-6/h2-5,8H,1H3
InChI Key:
XVNGCYNGUGKRFR-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1cccc(c1)Cl)Cl
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.99g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.061g/mol
Monoisotopic Mass:
217.99g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties