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1267546-21-3 | 3',5'-Dichloro-2-methylpropiophenone
CAS No: 1267546-21-3 Catalog No: AG01FDHC MDL No:
Product Description
Catalog Number:
AG01FDHC
Chemical Name:
3',5'-Dichloro-2-methylpropiophenone
CAS Number:
1267546-21-3
Molecular Formula:
C10H10Cl2O
Molecular Weight:
217.0918
IUPAC Name:
1-(3,5-dichlorophenyl)-2-methylpropan-1-one
InChI:
InChI=1S/C10H10Cl2O/c1-6(2)10(13)7-3-8(11)5-9(12)4-7/h3-6H,1-2H3
InChI Key:
SQCPCIPHLRSHIC-UHFFFAOYSA-N
SMILES:
CC(C(=O)c1cc(Cl)cc(c1)Cl)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.011g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.089g/mol
Monoisotopic Mass:
216.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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