Home Halogens 1-bromo-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene

1-bromo-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene

CAS No.:
2029355-44-8
Catalog Number:
AG01BXNR
Molecular Formula:
C8H3BrF6O
Molecular Weight:
309.0032
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Product Description
Catalog Number:
AG01BXNR
Chemical Name:
1-bromo-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CAS Number:
2029355-44-8
Molecular Formula:
C8H3BrF6O
Molecular Weight:
309.0032
MDL Number:
MFCD30497699
IUPAC Name:
1-bromo-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H3BrF6O/c9-6-2-1-4(16-8(13,14)15)3-5(6)7(10,11)12/h1-3H
InChI Key:
RVQQZBLDIMREHY-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1C(F)(F)F)OC(F)(F)F
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.927g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.005g/mol
Monoisotopic Mass:
307.927g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties