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100765-42-2 | 3-Pentanone, 1-(4-chlorophenyl)-4-methyl-
CAS No: 100765-42-2 Catalog No: AG0002UF MDL No:MFCD11655320
Product Description
Catalog Number:
AG0002UF
Chemical Name:
3-Pentanone, 1-(4-chlorophenyl)-4-methyl-
CAS Number:
100765-42-2
Molecular Formula:
C12H15ClO
Molecular Weight:
210.6999
MDL Number:
MFCD11655320
IUPAC Name:
1-(4-chlorophenyl)-4-methylpentan-3-one
InChI:
InChI=1S/C12H15ClO/c1-9(2)12(14)8-5-10-3-6-11(13)7-4-10/h3-4,6-7,9H,5,8H2,1-2H3
InChI Key:
KHAOMSKSCJDYMG-UHFFFAOYSA-N
SMILES:
CC(C(=O)CCc1ccc(cc1)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:
210.081g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.701g/mol
Monoisotopic Mass:
210.081g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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