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251300-30-8 | Benzaldehyde, 5-bromo-2-hydroxy-3-(trifluoromethyl)-
CAS No: 251300-30-8 Catalog No: AG002QK9 MDL No:MFCD03788531
Product Description
Catalog Number:
AG002QK9
Chemical Name:
Benzaldehyde, 5-bromo-2-hydroxy-3-(trifluoromethyl)-
CAS Number:
251300-30-8
Molecular Formula:
C8H4BrF3O2
Molecular Weight:
269.0154
MDL Number:
MFCD03788531
IUPAC Name:
5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H4BrF3O2/c9-5-1-4(3-13)7(14)6(2-5)8(10,11)12/h1-3,14H
InChI Key:
NCOPDQCEVBJGNB-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)cc(c1O)C(F)(F)F
Properties
Complexity:
219
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:
1
Isotope Atom Count:
0
Molecular Weight:
269.017g/mol
Monoisotopic Mass:
267.935g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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