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180868-99-9 | Benzeneacetic acid, 2,3-dichloro-α-oxo-, ethyl ester
CAS No: 180868-99-9 Catalog No: AG0022EJ MDL No:MFCD09801402
Product Description
Catalog Number:
AG0022EJ
Chemical Name:
Benzeneacetic acid, 2,3-dichloro-α-oxo-, ethyl ester
CAS Number:
180868-99-9
Molecular Formula:
C10H8Cl2O3
Molecular Weight:
247.0747
MDL Number:
MFCD09801402
IUPAC Name:
ethyl 2-(2,3-dichlorophenyl)-2-oxoacetate
InChI:
InChI=1S/C10H8Cl2O3/c1-2-15-10(14)9(13)6-4-3-5-7(11)8(6)12/h3-5H,2H2,1H3
InChI Key:
AHXVZWLBSUWYJX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1cccc(c1Cl)Cl
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.985g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.071g/mol
Monoisotopic Mass:
245.985g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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