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1252666-07-1 | 2-Chloro-1-(3,5-dimethylphenyl)ethanone
CAS No: 1252666-07-1 Catalog No: AG01FC9B MDL No:
Product Description
Catalog Number:
AG01FC9B
Chemical Name:
2-Chloro-1-(3,5-dimethylphenyl)ethanone
CAS Number:
1252666-07-1
Molecular Formula:
C10H11ClO
Molecular Weight:
182.6467
IUPAC Name:
2-chloro-1-(3,5-dimethylphenyl)ethanone
InChI:
InChI=1S/C10H11ClO/c1-7-3-8(2)5-9(4-7)10(12)6-11/h3-5H,6H2,1-2H3
InChI Key:
GLLFJBRASCARSL-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1cc(C)cc(c1)C
Properties
Complexity:
157
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
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