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6-Bromo-2-naphthaldehyde

CAT: 0127-OR74744-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR74744-01Size:100 mg
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CAS Number
170737-46-9
MDL Number
MFCD09842469
Purity
99%
Smiles
O=CC1=CC=C2C=C(Br)C=CC2=C1

Chemical Information

6-Bromonaphthalene-2-carbaldehyde
CAS Number170737-46-9
PubChem CID13477029
IUPAC Name6-bromonaphthalene-2-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=CC2=C(C=CC(=C2)Br)C=C1C=O
InChI
InChI=1S/C11H7BrO/c12-11-4-3-9-5-8(7-13)1-2-10(9)6-11/h1-7H
InChIKey
DLLDUYJRQNTEOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Bromonaphthalene-2-carbaldehyde
CAS: 170737-46-9
CID: 13477029
Formula: C11H7BrO
MW: 235.08
Interactive 3D Structure
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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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