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Home > Aldehydes > 116096-90-3
116096-90-3 | Benzaldehyde, 5-bromo-2,4-dihydroxy-
CAS No: 116096-90-3 Catalog No: AG000BM5 MDL No:MFCD20133738
Product Description
Catalog Number:
AG000BM5
Chemical Name:
Benzaldehyde, 5-bromo-2,4-dihydroxy-
CAS Number:
116096-90-3
Molecular Formula:
C7H5BrO3
Molecular Weight:
217.0168
MDL Number:
MFCD20133738
IUPAC Name:
5-bromo-2,4-dihydroxybenzaldehyde
InChI:
InChI=1S/C7H5BrO3/c8-5-1-4(3-9)6(10)2-7(5)11/h1-3,10-11H
InChI Key:
YIIXIVBXVLTMHQ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)c(cc1O)O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.942g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.018g/mol
Monoisotopic Mass:
215.942g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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