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4-Bromo-1-napthaldehyde

CAT: 0926-ACA67284Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-ACA67284Size:25 g
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CAS Number
50672-84-9
MDL Number
MFCD11101026
Smiles
C1=CC=C2C (=C1) C (=CC=C2Br) C=O
Molecular Formula
C11H7BrO
Molecular Weight
235.08 g/mol
Controlled
No

Chemical Information

4-Bromo-1-naphthaldehyde
CAS Number50672-84-9
PubChem CID4640413
IUPAC Name4-bromonaphthalene-1-carbaldehyde
Molecular FormulaC11H7BrO
Molecular Weight235.08
XLogP3.3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity193
SMILES
C1=CC=C2C(=C1)C(=CC=C2Br)C=O
InChI
InChI=1S/C11H7BrO/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-7H
InChIKey
SESASPRCAIMYLA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-1-naphthaldehyde
CAS: 50672-84-9
CID: 4640413
Formula: C11H7BrO
MW: 235.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.08
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass233.96803
Monoisotopic Mass233.96803
Topological Polar Surface Area17.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity193
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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