Home Halogens (3,5-Dichloro-phenyl)-acetic acid methyl ester

(3,5-Dichloro-phenyl)-acetic acid methyl ester

CAS No.:
55954-24-0
Catalog Number:
AG00DLWW
Molecular Formula:
C9H8Cl2O2
Molecular Weight:
219.0646
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Product Description
Catalog Number:
AG00DLWW
Chemical Name:
(3,5-Dichloro-phenyl)-acetic acid methyl ester
CAS Number:
55954-24-0
Molecular Formula:
C9H8Cl2O2
Molecular Weight:
219.0646
MDL Number:
MFCD23098647
IUPAC Name:
methyl 2-(3,5-dichlorophenyl)acetate
InChI:
InChI=1S/C9H8Cl2O2/c1-13-9(12)4-6-2-7(10)5-8(11)3-6/h2-3,5H,4H2,1H3
InChI Key:
ZKVZUSKNUTWXHC-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cc(Cl)cc(c1)Cl
Properties
Complexity:
175  
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  
Properties