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1443303-41-0 | 4'-Chloro-3'-ethyl-3-methylbutyrophenone
CAS No: 1443303-41-0 Catalog No: AG01FC0M MDL No:
Product Description
Catalog Number:
AG01FC0M
Chemical Name:
4'-Chloro-3'-ethyl-3-methylbutyrophenone
CAS Number:
1443303-41-0
Molecular Formula:
C13H17ClO
Molecular Weight:
224.7265
IUPAC Name:
1-(4-chloro-3-ethylphenyl)-3-methylbutan-1-one
InChI:
InChI=1S/C13H17ClO/c1-4-10-8-11(5-6-12(10)14)13(15)7-9(2)3/h5-6,8-9H,4,7H2,1-3H3
InChI Key:
GVJXBAJEHVECRZ-UHFFFAOYSA-N
SMILES:
CCc1cc(ccc1Cl)C(=O)CC(C)C
Properties
Complexity:
213
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:
4.3
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