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3,5-Dibromo-4-hydroxybenzaldehyde

CAT: 0926-FD38003Size: 2 KgDry Ice: NoHazardous: No
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CAT#:0926-FD38003Size:2 Kg
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CAS Number
2973-77-5
MDL Number
MFCD00016980
Smiles
C1=C (C=C (C (=C1Br) O) Br) C=O
Molecular Formula
C7H4Br2O2
Molecular Weight
279.91 g/mol
Controlled
No

Chemical Information

3,5-Dibromo-4-Hydroxybenzaldehyde
CAS Number2973-77-5
PubChem CID18100
IUPAC Name3,5-dibromo-4-hydroxybenzaldehyde
Molecular FormulaC7H4Br2O2
Molecular Weight279.91
XLogP3.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity139
SMILES
C1=C(C=C(C(=C1Br)O)Br)C=O
InChI
InChI=1S/C7H4Br2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChIKey
SXRHGLQCOLNZPT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dibromo-4-Hydroxybenzaldehyde
CAS: 2973-77-5
CID: 18100
Formula: C7H4Br2O2
MW: 279.91
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.91
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass279.85576
Monoisotopic Mass277.85780
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity139
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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