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3-Bromo-2-naphthoic Acid

CAT: 0572-TRC-B745520-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B745520-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20717-80-0
Hazard Statement
No Data Available
Smiles
OC(=O)c1cc2ccccc2cc1Br
Molecular Formula
C11 H7 Br O2
Molecular Weight
251.076
InChI
InChI=1S/C11H7BrO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,(H,13,14)
Additionnal Information
IUPAC name: 3-bromonaphthalene-2-carboxylic acid
Shipping Conditions
Room Temperature

Chemical Information

3-Bromonaphthalene-2-carboxylic acid
CAS Number20717-80-0
PubChem CID12226353
IUPAC Name3-bromonaphthalene-2-carboxylic acid
Molecular FormulaC11H7BrO2
Molecular Weight251.08
XLogP3.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity229
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)O)Br
InChI
InChI=1S/C11H7BrO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,(H,13,14)
InChIKey
KJEICVAXCBDOSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromonaphthalene-2-carboxylic acid
CAS: 20717-80-0
CID: 12226353
Formula: C11H7BrO2
MW: 251.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight251.08
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass249.96294
Monoisotopic Mass249.96294
Topological Polar Surface Area37.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity229
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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