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3111-51-1 | 2,4-Dibromo-5-hydroxybenzaldehyde
CAS No: 3111-51-1 Catalog No: AG0037E4 MDL No:MFCD08673515
Product Description
Catalog Number:
AG0037E4
Chemical Name:
2,4-Dibromo-5-hydroxybenzaldehyde
CAS Number:
3111-51-1
Molecular Formula:
C7H4Br2O2
Molecular Weight:
279.9135
MDL Number:
MFCD08673515
IUPAC Name:
2,4-dibromo-5-hydroxybenzaldehyde
InChI:
InChI=1S/C7H4Br2O2/c8-5-2-6(9)7(11)1-4(5)3-10/h1-3,11H
InChI Key:
YYYLLTIYDVSUDA-UHFFFAOYSA-N
SMILES:
O=Cc1cc(O)c(cc1Br)Br
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.856g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.915g/mol
Monoisotopic Mass:
277.858g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Redetermination of 4-hydroxy-benzaldehyde. | Acta crystallographica. Section E, Structure reports online 20080101 |
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