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2-Bromoisophthaldehyde

CAT: 0572-TRC-B685885-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B685885-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
79839-49-9
Synonyms
1-Bromo-2,6-diformylbenzene; 2-Bromo-1,3-benzenedicarboxaldehyde; 1-Bromo-2,6-diformylbenzene; 2-Bromobenzene-1,3-dialdehyde; 2-Bromobenzene-1,3-dicarboxaldehyde
Hazard Statement
No Data Available
Smiles
BrC1=C(C=O)C=CC=C1C=O
Molecular Formula
C8H5BrO2
Molecular Weight
213.03
InChI
InChI=1S/C8H5BrO2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-5H
Additionnal Information
IUPAC name: 2-bromoisophthalaldehyde
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Bromobenzene-1,3-dicarbaldehyde
CAS Number79839-49-9
PubChem CID11435812
IUPAC Name2-bromobenzene-1,3-dicarbaldehyde
Molecular FormulaC8H5BrO2
Molecular Weight213.03
XLogP1.5
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity142
SMILES
C1=CC(=C(C(=C1)C=O)Br)C=O
InChI
InChI=1S/C8H5BrO2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-5H
InChIKey
RZUSSKMZLHKMHU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromobenzene-1,3-dicarbaldehyde
CAS: 79839-49-9
CID: 11435812
Formula: C8H5BrO2
MW: 213.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.03
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass211.94729
Monoisotopic Mass211.94729
Topological Polar Surface Area34.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity142
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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