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6725-44-6 | Methyl 2-(3,4-dichlorophenyl)acetate
CAS No: 6725-44-6 Catalog No: AG003RQ4 MDL No:MFCD00800680
Product Description
Catalog Number:
AG003RQ4
Chemical Name:
Methyl 2-(3,4-dichlorophenyl)acetate
CAS Number:
6725-44-6
Molecular Formula:
C9H8Cl2O2
Molecular Weight:
219.0646
MDL Number:
MFCD00800680
IUPAC Name:
methyl 2-(3,4-dichlorophenyl)acetate
InChI:
InChI=1S/C9H8Cl2O2/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3
InChI Key:
FWVOAIHAIWHHDM-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(c(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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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