1-Naphthalenemethan...

1-Naphthalenemethanol,2-chloro-a-methyl-(CAS No. 5471-34-1)

1-Naphthalenemethanol,2-chloro-a-methyl-(CAS No. 5471-34-1)

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1-Naphthalenemethanol,2-chloro-a-methyl- 1-Naphthalenemethanol,2-chloro-a-methyl-(CAS No. 5471-34-1) 5471-34-1

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

【Name】
1-Naphthalenemethanol,2-chloro-a-methyl-
【CAS Registry number】
5471-34-1
【Synonyms】
1-(2-Chloronaphthalen-1-yl)ethanol
NSC 26063
【Molecular Formula】
C12H11 Cl O (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C12H11ClO/c1-8(14)12-10-5-3-2-4-9(10)6-7-11(12)13/h2-8,14H,1H3
【Canonical SMILES】
CC(C1=C(C=CC2=CC=CC=C21)Cl)O
【MOL File】
5471-34-1.mol
Chemical and Physical Properties
【Density】
1.24g/cm3
【Boiling Point】
343.7°Cat760mmHg
【Refractive Index】
1.64
【Flash Point】
161.7°C
【Computed Properties】
Molecular Weight:206.66814 [g/mol]
Molecular Formula:C12H11ClO
XLogP3-AA:3.3
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:1
Exact Mass:206.049843
MonoIsotopic Mass:206.049843
Topological Polar Surface Area:20.2
Heavy Atom Count:14
Formal Charge:0
Complexity:195
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 Ring Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:4

 

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