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2648-61-5 | Ethanone, 2,2-dichloro-1-phenyl-
CAS No: 2648-61-5 Catalog No: AG002TEH MDL No:MFCD00000844
Product Description
Catalog Number:
AG002TEH
Chemical Name:
Ethanone, 2,2-dichloro-1-phenyl-
CAS Number:
2648-61-5
Molecular Formula:
C8H6Cl2O
Molecular Weight:
189.0386
MDL Number:
MFCD00000844
IUPAC Name:
2,2-dichloro-1-phenylethanone
InChI:
InChI=1S/C8H6Cl2O/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,8H
InChI Key:
CERJZAHSUZVMCH-UHFFFAOYSA-N
SMILES:
ClC(C(=O)c1ccccc1)Cl
UNII:
3VJ32JJ8LH
NSC Number:
53617
Properties
Complexity:
139
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| 1-(2,4-Dichloro-phen-yl)-3-[4-(dimethyl-amino)phen-yl]prop-2-enone. | Acta crystallographica. Section E, Structure reports online 20090601 |
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