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149758-02-1 | 3'-Chloro-4'-methylpropiophenone
CAS No: 149758-02-1 Catalog No: AG01FEQM MDL No:
Product Description
Catalog Number:
AG01FEQM
Chemical Name:
3'-Chloro-4'-methylpropiophenone
CAS Number:
149758-02-1
Molecular Formula:
C10H11ClO
Molecular Weight:
182.6467
IUPAC Name:
1-(3-chloro-4-methylphenyl)propan-1-one
InChI:
InChI=1S/C10H11ClO/c1-3-10(12)8-5-4-7(2)9(11)6-8/h4-6H,3H2,1-2H3
InChI Key:
RPQVUSIRZDRRKV-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(c(c1)Cl)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.05g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.647g/mol
Monoisotopic Mass:
182.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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