4-Bromo-1-naphthale...

4-Bromo-1-naphthaleneacetic acid 5438-74-4

4-Bromo-1-naphthaleneacetic acid 5438-74-4

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
  • Payment Terms : L/C,T/T,

Keywords

2-(4-bromonaphthalen-1-yl)acetic acid 5438-74-4 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:Room Temperature
  • Transportation:as requested

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Details:

【Name】
4-Bromo-1-naphthaleneacetic acid
【Iupac name】
2-(4-bromonaphthalen-1-yl)acetic acid
【CAS Registry number】
5438-74-4
【Synonyms】
4-Bromo-1-naphthaleneacetic acid
【Molecular Formula】
C12H9BrO2 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C12H9BrO2/c13-11-6-5-8(7-12(14)15)9-3-1-2-4-10(9)11/h1-6H,7H2,(H,14,15)
【Canonical SMILES】
C1=CC=C2C(=C1)C(=CC=C2Br)CC(=O)O
【MOL File】
5438-74-4.mol
Chemical and Physical Properties
【Density】
1.585g/cm3
【Boiling Point】
430°C at 760 mmHg
【Refractive Index】
1.676
【Flash Point】
213.8°C
【Computed Properties】
Molecular Weight:265.10266 [g/mol]
Molecular Formula:C12H9BrO2
XLogP3-AA:3.3
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:2
Exact Mass:263.978592
MonoIsotopic Mass:263.978592
Topological Polar Surface Area:37.3
Heavy Atom Count:15
Formal Charge:0
Complexity:242
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Anion Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:4

 

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