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Rac-5-Bromo Naproxen

CAT: 1596-AR-N07916-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-N07916-01Size:10 Units
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CAS Number
27655-95-4
Synonyms
5-Bromo-6-methoxy-?-methyl-2-naphthaleneacetic Acid; (±) -5-Bromo-6-methoxy-?-methyl-2-naphthaleneacetic Acid; (±) -5-Bromo-6-methoxy-?-methyl-2-naphthaleneacetic Acid; (±) -5-Bromonaproxen
Molecular Formula
C14H13BrO3
Molecular Weight
309.16
API Name
Naproxen

Chemical Information

2-(5-Bromo-6-methoxynaphthalen-2-yl)propanoic acid
CAS Number27655-95-4
PubChem CID119695
IUPAC Name2-(5-bromo-6-methoxynaphthalen-2-yl)propanoic acid
Molecular FormulaC14H13BrO3
Molecular Weight309.15
XLogP3.9
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity307
SMILES
CC(C1=CC2=C(C=C1)C(=C(C=C2)OC)Br)C(=O)O
InChI
InChI=1S/C14H13BrO3/c1-8(14(16)17)9-3-5-11-10(7-9)4-6-12(18-2)13(11)15/h3-8H,1-2H3,(H,16,17)
InChIKey
JZRWXNBIQCMXSU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(5-Bromo-6-methoxynaphthalen-2-yl)propanoic acid
CAS: 27655-95-4
CID: 119695
Formula: C14H13BrO3
MW: 309.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight309.15
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass308.00481
Monoisotopic Mass308.00481
Topological Polar Surface Area46.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity307
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes