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28547-33-3 | 1-Propanone, 3-chloro-1-[4-(1,1-dimethylethyl)phenyl]-
CAS No: 28547-33-3 Catalog No: AG002VP4 MDL No:MFCD11504951
Product Description
Catalog Number:
AG002VP4
Chemical Name:
1-Propanone, 3-chloro-1-[4-(1,1-dimethylethyl)phenyl]-
CAS Number:
28547-33-3
Molecular Formula:
C13H17ClO
Molecular Weight:
224.7265
MDL Number:
MFCD11504951
IUPAC Name:
1-(4-tert-butylphenyl)-3-chloropropan-1-one
InChI:
InChI=1S/C13H17ClO/c1-13(2,3)11-6-4-10(5-7-11)12(15)8-9-14/h4-7H,8-9H2,1-3H3
InChI Key:
RWKVKFPYVTZRHS-UHFFFAOYSA-N
SMILES:
ClCCC(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.097g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.728g/mol
Monoisotopic Mass:
224.097g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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