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1256471-37-0

1256471-37-0 | 2,2,2-Trifluoro-1-(4-fluoro-3-methoxyphenyl)ethanone

CAS No: 1256471-37-0 Catalog No: AG01F8FX MDL No:

Product Description

Catalog Number:
AG01F8FX
Chemical Name:
2,2,2-Trifluoro-1-(4-fluoro-3-methoxyphenyl)ethanone
CAS Number:
1256471-37-0
Molecular Formula:
C9H6F4O2
Molecular Weight:
222.1364
IUPAC Name:
2,2,2-trifluoro-1-(4-fluoro-3-methoxyphenyl)ethanone
InChI:
InChI=1S/C9H6F4O2/c1-15-7-4-5(2-3-6(7)10)8(14)9(11,12)13/h2-4H,1H3
InChI Key:
YBSSXHNYQZDSAB-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1F)C(=O)C(F)(F)F

Properties

Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.139g/mol
Monoisotopic Mass:
222.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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