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3,4-Dibromobenzaldehyde

CAT: 0127-OR5345-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR5345-01Size:1 g
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CAS Number
74003-55-7
MDL Number
MFCD00236033
Purity
97%
Smiles
Brc1ccc(C=O)cc1Br

Chemical Information

3,4-Dibromobenzaldehyde
CAS Number74003-55-7
PubChem CID622053
IUPAC Name3,4-dibromobenzaldehyde
Molecular FormulaC7H4Br2O
Molecular Weight263.91
XLogP2.8
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity127
SMILES
C1=CC(=C(C=C1C=O)Br)Br
InChI
InChI=1S/C7H4Br2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
InChIKey
UTYRZXNEFUYFCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dibromobenzaldehyde
CAS: 74003-55-7
CID: 622053
Formula: C7H4Br2O
MW: 263.91
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.91
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass263.86084
Monoisotopic Mass261.86289
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity127
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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sc-2764473,4-Dibromobenzaldehyde
AR-B06280-012,4-Dibromobenzaldehyde
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