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2003-10-3

2003-10-3 | Ethanone, 2-bromo-1-[3-(trifluoromethyl)phenyl]-

CAS No: 2003-10-3 Catalog No: AG002CO9 MDL No:MFCD03094283

Product Description

Catalog Number:
AG002CO9
Chemical Name:
Ethanone, 2-bromo-1-[3-(trifluoromethyl)phenyl]-
CAS Number:
2003-10-3
Molecular Formula:
C9H6BrF3O
Molecular Weight:
267.0425
MDL Number:
MFCD03094283
IUPAC Name:
2-bromo-1-[3-(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C9H6BrF3O/c10-5-8(14)6-2-1-3-7(4-6)9(11,12)13/h1-4H,5H2
InChI Key:
TZIYNLSEBAYCBZ-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cccc(c1)C(F)(F)F

Properties

Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.955g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.045g/mol
Monoisotopic Mass:
265.955g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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