Home Aldehydes 3-Chloro-2-fluoro-6-(trifluoromethyl)benzaldehyde

3-Chloro-2-fluoro-6-(trifluoromethyl)benzaldehyde

CAS No.:
186517-29-3
Catalog Number:
AG003J6Q
Molecular Formula:
C8H3ClF4O
Molecular Weight:
226.5554
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Product Description
Catalog Number:
AG003J6Q
Chemical Name:
3-Chloro-2-fluoro-6-(trifluoromethyl)benzaldehyde
CAS Number:
186517-29-3
Molecular Formula:
C8H3ClF4O
Molecular Weight:
226.5554
MDL Number:
MFCD01631343
IUPAC Name:
3-chloro-2-fluoro-6-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H3ClF4O/c9-6-2-1-5(8(11,12)13)4(3-14)7(6)10/h1-3H
InChI Key:
WTVMLHFHFBCCBP-UHFFFAOYSA-N
SMILES:
O=Cc1c(F)c(Cl)ccc1C(F)(F)F
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.981g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.555g/mol
Monoisotopic Mass:
225.981g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties