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1 Kilogram |
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2-bromo-1-(4-bromonaphthalen-1-yl)ethanol 5467-60-7 98%
【Name】
2-bromo-1-(4-bromonaphthalen-1-yl)ethanol
【Iupac name】
2-bromo-1-(4-bromonaphthalen-1-yl)ethanol
【CAS Registry number】
5467-60-7
【Synonyms】
2-bromo-1-(4-bromonaphthalen-1-yl)ethanol
5467-60-7
NSC25658
AC1L5JUN
AC1Q27L5
AR-1D9324
NSC-25658
【Molecular Formula】
C12H10Br2O (Products with the same molecular formula)
【Molecular Weight】
330.0152
【Inchi】
InChI=1/C12H10Br2O/c13-7-12(15)10-5-6-11(14)9-4-2-1-3-8(9)10/h1-6,12,15H,7H2
【Canonical SMILES】
C1=CC=C2C(=C1)C(=CC=C2Br)C(CBr)O
【MOL File】
5467-60-7.mol
Chemical and Physical Properties
【Density】
1.793g/cm3
【Boiling Point】
434.7°C at 760 mmHg
【Refractive Index】
1.693
【Flash Point】
216.7°C
【Computed Properties】
Molecular Weight:330.0152 [g/mol]
Molecular Formula:C12H10Br2O
XLogP3-AA:3.8
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:2
Exact Mass:329.907794
MonoIsotopic Mass:327.90984
Topological Polar Surface Area:20.2
Heavy Atom Count:15
Formal Charge:0
Complexity:210
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:6
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