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Home > Aldehydes > 1291487-26-7
1291487-26-7 | Benzaldehyde, 5-bromo-2-fluoro-3-(trifluoromethyl)-
CAS No: 1291487-26-7 Catalog No: AG000YWN MDL No:MFCD18837610
Product Description
Catalog Number:
AG000YWN
Chemical Name:
Benzaldehyde, 5-bromo-2-fluoro-3-(trifluoromethyl)-
CAS Number:
1291487-26-7
Molecular Formula:
C8H3BrF4O
Molecular Weight:
271.0064
MDL Number:
MFCD18837610
IUPAC Name:
5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H3BrF4O/c9-5-1-4(3-14)7(10)6(2-5)8(11,12)13/h1-3H
InChI Key:
NYEXEDWUBIBSMY-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)cc(c1F)C(F)(F)F
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.93g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.009g/mol
Monoisotopic Mass:
269.93g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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