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Home > Aldehydes > 116096-91-4
116096-91-4 | Benzaldehyde, 3,5-dibromo-2,4-dihydroxy-
CAS No: 116096-91-4 Catalog No: AG000BM4 MDL No:MFCD00504306
Product Description
Catalog Number:
AG000BM4
Chemical Name:
Benzaldehyde, 3,5-dibromo-2,4-dihydroxy-
CAS Number:
116096-91-4
Molecular Formula:
C7H4Br2O3
Molecular Weight:
295.9129
MDL Number:
MFCD00504306
IUPAC Name:
3,5-dibromo-2,4-dihydroxybenzaldehyde
InChI:
InChI=1S/C7H4Br2O3/c8-4-1-3(2-10)6(11)5(9)7(4)12/h1-2,11-12H
InChI Key:
JEFPULPKKGELPK-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)c(c(c1O)Br)O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.851g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.914g/mol
Monoisotopic Mass:
293.853g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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