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1266995-38-3 | 3'-Chloro-3,6'-dimethylbutyrophenone
CAS No: 1266995-38-3 Catalog No: AG01FDH7 MDL No:
Product Description
Catalog Number:
AG01FDH7
Chemical Name:
3'-Chloro-3,6'-dimethylbutyrophenone
CAS Number:
1266995-38-3
Molecular Formula:
C12H15ClO
Molecular Weight:
210.6999
IUPAC Name:
1-(5-chloro-2-methylphenyl)-3-methylbutan-1-one
InChI:
InChI=1S/C12H15ClO/c1-8(2)6-12(14)11-7-10(13)5-4-9(11)3/h4-5,7-8H,6H2,1-3H3
InChI Key:
XBAQBHOXGOADQH-UHFFFAOYSA-N
SMILES:
CC(CC(=O)c1cc(Cl)ccc1C)C
Properties
Complexity:
201
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:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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