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1193779-97-3 | 1-Propanone, 1-(5-chloro-2-methylphenyl)-
CAS No: 1193779-97-3 Catalog No: AG000INW MDL No:MFCD11617659
Product Description
Catalog Number:
AG000INW
Chemical Name:
1-Propanone, 1-(5-chloro-2-methylphenyl)-
CAS Number:
1193779-97-3
Molecular Formula:
C10H11ClO
Molecular Weight:
182.6467
MDL Number:
MFCD11617659
IUPAC Name:
1-(5-chloro-2-methylphenyl)propan-1-one
InChI:
InChI=1S/C10H11ClO/c1-3-10(12)9-6-8(11)5-4-7(9)2/h4-6H,3H2,1-2H3
InChI Key:
VWJBDJMIASDRMJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C(=O)CC)Cl
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:
3.1
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