Home Halogens 1,3-Dichloro-2-fluoro-5-(trifluoromethyl)benzene

1,3-Dichloro-2-fluoro-5-(trifluoromethyl)benzene

CAS No.:
77227-81-7
Catalog Number:
AG003ILH
Molecular Formula:
C7H2Cl2F4
Molecular Weight:
232.9904
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Product Description
Catalog Number:
AG003ILH
Chemical Name:
1,3-Dichloro-2-fluoro-5-(trifluoromethyl)benzene
CAS Number:
77227-81-7
Molecular Formula:
C7H2Cl2F4
Molecular Weight:
232.9904
MDL Number:
MFCD00068183
IUPAC Name:
1,3-dichloro-2-fluoro-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H2Cl2F4/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H
InChI Key:
BWQFQKZDLBJZAW-UHFFFAOYSA-N
SMILES:
Fc1c(Cl)cc(cc1Cl)C(F)(F)F
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.947g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.987g/mol
Monoisotopic Mass:
231.947g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Literature
Title Journal
Synthesis of a tritium-labeled, fipronil-based, highly potent, photoaffinity probe for the GABA receptor. The Journal of organic chemistry 20031017
Properties