Home Halogens 1-chloro-1,1-difluoro-4-phenylbutan-2-one

1-chloro-1,1-difluoro-4-phenylbutan-2-one

CAS No.:
145299-85-0
Catalog Number:
AG01A478
Molecular Formula:
C10H9ClF2O
Molecular Weight:
218.6277
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Product Description
Catalog Number:
AG01A478
Chemical Name:
1-chloro-1,1-difluoro-4-phenylbutan-2-one
CAS Number:
145299-85-0
Molecular Formula:
C10H9ClF2O
Molecular Weight:
218.6277
MDL Number:
MFCD23701803
IUPAC Name:
1-chloro-1,1-difluoro-4-phenylbutan-2-one
InChI:
InChI=1S/C10H9ClF2O/c11-10(12,13)9(14)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
SZMFMSBWDKHDTJ-UHFFFAOYSA-N
SMILES:
O=C(C(Cl)(F)F)CCc1ccccc1
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.031g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.628g/mol
Monoisotopic Mass:
218.031g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties