Home Halogens 1-Propanone, 2-chloro-1-(3,4-difluorophenyl)- (9CI)

1-Propanone, 2-chloro-1-(3,4-difluorophenyl)- (9CI)

CAS No.:
561009-02-7
Catalog Number:
AG00E8FW
Molecular Formula:
C9H7ClF2O
Molecular Weight:
204.6011
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Product Description
Catalog Number:
AG00E8FW
Chemical Name:
1-Propanone, 2-chloro-1-(3,4-difluorophenyl)- (9CI)
CAS Number:
561009-02-7
Molecular Formula:
C9H7ClF2O
Molecular Weight:
204.6011
MDL Number:
MFCD04610455
IUPAC Name:
2-chloro-1-(3,4-difluorophenyl)propan-1-one
InChI:
InChI=1S/C9H7ClF2O/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5H,1H3
InChI Key:
JKODLKJWJRDZCT-UHFFFAOYSA-N
SMILES:
CC(C(=O)c1ccc(c(c1)F)F)Cl
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.015g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.601g/mol
Monoisotopic Mass:
204.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties