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56041-57-7 | 1-(2,3-Dichlorophenyl)ethanone
CAS No: 56041-57-7 Catalog No: AG003B3U MDL No:MFCD00052988
Product Description
Catalog Number:
AG003B3U
Chemical Name:
1-(2,3-Dichlorophenyl)ethanone
CAS Number:
56041-57-7
Molecular Formula:
C8H6Cl2O
Molecular Weight:
189.0386
MDL Number:
MFCD00052988
IUPAC Name:
1-(2,3-dichlorophenyl)ethanone
InChI:
InChI=1S/C8H6Cl2O/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,1H3
InChI Key:
KMABBMYSEVZARZ-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc(c1Cl)Cl
EC Number:
259-954-3
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.98g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.035g/mol
Monoisotopic Mass:
187.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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