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101580-93-2 | Acetic acid, 2-chloro-, 3,4-dichlorophenyl ester
CAS No: 101580-93-2 Catalog No: AG0004UO MDL No:
Product Description
Catalog Number:
AG0004UO
Chemical Name:
Acetic acid, 2-chloro-, 3,4-dichlorophenyl ester
CAS Number:
101580-93-2
Molecular Formula:
C8H5Cl3O2
Molecular Weight:
239.4831
IUPAC Name:
(3,4-dichlorophenyl) 2-chloroacetate
InChI:
InChI=1S/C8H5Cl3O2/c9-4-8(12)13-5-1-2-6(10)7(11)3-5/h1-3H,4H2
InChI Key:
CNALHVZXVPTLGY-UHFFFAOYSA-N
SMILES:
ClCC(=O)Oc1ccc(c(c1)Cl)Cl
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.936g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.476g/mol
Monoisotopic Mass:
237.936g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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