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2040-05-3 | Ethanone, 1-(2,6-dichlorophenyl)-
CAS No: 2040-05-3 Catalog No: AG00298J MDL No:MFCD00016339
Product Description
Catalog Number:
AG00298J
Chemical Name:
Ethanone, 1-(2,6-dichlorophenyl)-
CAS Number:
2040-05-3
Molecular Formula:
C8H6Cl2O
Molecular Weight:
189.0386
MDL Number:
MFCD00016339
IUPAC Name:
1-(2,6-dichlorophenyl)ethanone
InChI:
InChI=1S/C8H6Cl2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3
InChI Key:
HYBDSXBLGCQKRE-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(Cl)cccc1Cl
EC Number:
218-035-7
Properties
Complexity:
148
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:
2.9
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