Home Halogens 2-chloro-1-[4-(trifluoromethyl)phenyl]ethan-1-one

2-chloro-1-[4-(trifluoromethyl)phenyl]ethan-1-one

CAS No.:
95727-89-2
Catalog Number:
AG01BBWF
Molecular Formula:
C9H6ClF3O
Molecular Weight:
222.5915
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Product Description
Catalog Number:
AG01BBWF
Chemical Name:
2-chloro-1-[4-(trifluoromethyl)phenyl]ethan-1-one
CAS Number:
95727-89-2
Molecular Formula:
C9H6ClF3O
Molecular Weight:
222.5915
MDL Number:
MFCD14155645
IUPAC Name:
2-chloro-1-[4-(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C9H6ClF3O/c10-5-8(14)6-1-3-7(4-2-6)9(11,12)13/h1-4H,5H2
InChI Key:
VBXNXBARORLRRI-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.006g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.591g/mol
Monoisotopic Mass:
222.006g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties