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5586-88-9 | 1-(4-Chlorophenyl);acetone
CAS No: 5586-88-9 Catalog No: AG003L80 MDL No:MFCD00045214
Product Description
Catalog Number:
AG003L80
Chemical Name:
1-(4-Chlorophenyl);acetone
CAS Number:
5586-88-9
Molecular Formula:
C9H9ClO
Molecular Weight:
168.6202
MDL Number:
MFCD00045214
IUPAC Name:
1-(4-chlorophenyl)propan-2-one
InChI:
InChI=1S/C9H9ClO/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3
InChI Key:
WEJRYKSUUFKMBC-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1ccc(cc1)Cl
EC Number:
226-986-4
UNII:
I2FE1ERE85
NSC Number:
22985
Properties
Complexity:
137
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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