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104460-70-0 | 4-Bromo-2-fluoro-5-(trifluoromethyl)aniline
CAS No: 104460-70-0 Catalog No: AG003KWL MDL No:MFCD04973757
Product Description
Catalog Number:
AG003KWL
Chemical Name:
4-Bromo-2-fluoro-5-(trifluoromethyl)aniline
CAS Number:
104460-70-0
Molecular Formula:
C7H4BrF4N
Molecular Weight:
258.0110
MDL Number:
MFCD04973757
IUPAC Name:
4-bromo-2-fluoro-5-(trifluoromethyl)aniline
InChI:
InChI=1S/C7H4BrF4N/c8-4-2-5(9)6(13)1-3(4)7(10,11)12/h1-2H,13H2
InChI Key:
UYVDMCXPDGRLEC-UHFFFAOYSA-N
SMILES:
Fc1cc(Br)c(cc1N)C(F)(F)F
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.946g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.014g/mol
Monoisotopic Mass:
256.946g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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