Home Halogens 1-(2-chloro-3,6-difluorophenyl)ethan-1-one

1-(2-chloro-3,6-difluorophenyl)ethan-1-one

CAS No.:
890934-10-8
Catalog Number:
AG00IFKS
Molecular Formula:
C8H5ClF2O
Molecular Weight:
190.5745
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Product Description
Catalog Number:
AG00IFKS
Chemical Name:
1-(2-chloro-3,6-difluorophenyl)ethan-1-one
CAS Number:
890934-10-8
Molecular Formula:
C8H5ClF2O
Molecular Weight:
190.5745
MDL Number:
MFCD26388572
IUPAC Name:
1-(2-chloro-3,6-difluorophenyl)ethanone
InChI:
InChI=1S/C8H5ClF2O/c1-4(12)7-5(10)2-3-6(11)8(7)9/h2-3H,1H3
InChI Key:
MYERFUHABAVVAD-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1Cl)C(=O)C)F
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.574g/mol
Monoisotopic Mass:
190g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties