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1267076-97-0 | 3'-Chloro-2'-methylbutyrophenone
CAS No: 1267076-97-0 Catalog No: AG01FEMF MDL No:
Product Description
Catalog Number:
AG01FEMF
Chemical Name:
3'-Chloro-2'-methylbutyrophenone
CAS Number:
1267076-97-0
Molecular Formula:
C11H13ClO
Molecular Weight:
196.6733
IUPAC Name:
1-(3-chloro-2-methylphenyl)butan-1-one
InChI:
InChI=1S/C11H13ClO/c1-3-5-11(13)9-6-4-7-10(12)8(9)2/h4,6-7H,3,5H2,1-2H3
InChI Key:
DJHOLLLRTSQETG-UHFFFAOYSA-N
SMILES:
Cc1c(cccc1Cl)C(=O)CCC
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.674g/mol
Monoisotopic Mass:
196.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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