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177942-43-7 | 3'-Chloro-2'-methylacetophenone
CAS No: 177942-43-7 Catalog No: AG01FEXW MDL No:
Product Description
Catalog Number:
AG01FEXW
Chemical Name:
3'-Chloro-2'-methylacetophenone
CAS Number:
177942-43-7
Molecular Formula:
C9H9ClO
Molecular Weight:
168.6202
IUPAC Name:
1-(3-chloro-2-methylphenyl)ethanone
InChI:
InChI=1S/C9H9ClO/c1-6-8(7(2)11)4-3-5-9(6)10/h3-5H,1-2H3
InChI Key:
LWCWKIPMVFDADV-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc(c1C)Cl
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.034g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.62g/mol
Monoisotopic Mass:
168.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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