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  • 3-FLUOROBENZYL CYANIDE
Name:3-FLUOROBENZYL CYANIDE
CAS No:10036-43-8

PRODUCT DESCRIPTION

【Name】
3-FLUOROBENZYL CYANIDE
【CAS Registry number】
10036-43-8
【Synonyms】
3-FLUOROBENZYL CYANIDE 97%
Jrd-0527
【Molecular Formula】
C8H6FN (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1S/C8H6FN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2
【Canonical SMILES】
C1=CC(=CC(=C1)F)CC#N
【MOL File】
10036-43-8.mol

Chemical and Physical Properties

【Density】
1.127 g/cm3
【Boiling Point】
226.8 °C at 760 mmHg
【Flash Point】
83.1 °C
【Computed Properties】
Molecular Weight:135.138343 [g/mol]
Molecular Formula:C8H6FN
XLogP3:2
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:135.048427
MonoIsotopic Mass:135.048427
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Formal Charge:0
Complexity:147
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:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:6

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