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505084-61-7 | 2-Bromo-5-(trifluoromethoxy)benzaldehyde
CAS No: 505084-61-7 Catalog No: AG006YJB MDL No:MFCD07368722
Product Description
Catalog Number:
AG006YJB
Chemical Name:
2-Bromo-5-(trifluoromethoxy)benzaldehyde
CAS Number:
505084-61-7
Molecular Formula:
C8H4BrF3O2
Molecular Weight:
269.0154
MDL Number:
MFCD07368722
IUPAC Name:
2-bromo-5-(trifluoromethoxy)benzaldehyde
InChI:
InChI=1S/C8H4BrF3O2/c9-7-2-1-6(3-5(7)4-13)14-8(10,11)12/h1-4H
InChI Key:
LSMYXQXITTZTHX-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1Br)OC(F)(F)F
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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