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Home > Aldehydes > 1221716-04-6
1221716-04-6 | Benzaldehyde, 4-bromo-3-(trifluoromethoxy)-
CAS No: 1221716-04-6 Catalog No: AG0016V8 MDL No:
Product Description
Catalog Number:
AG0016V8
Chemical Name:
Benzaldehyde, 4-bromo-3-(trifluoromethoxy)-
CAS Number:
1221716-04-6
Molecular Formula:
C8H4BrF3O2
Molecular Weight:
269.0154
IUPAC Name:
4-bromo-3-(trifluoromethoxy)benzaldehyde
InChI:
InChI=1S/C8H4BrF3O2/c9-6-2-1-5(4-13)3-7(6)14-8(10,11)12/h1-4H
InChI Key:
OXGOZHICCQUYTM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)OC(F)(F)F)Br
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.935g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.017g/mol
Monoisotopic Mass:
267.935g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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