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82212-55-3 | Pentanenitrile, 2-amino-2-(fluoromethyl)-5-(phenylmethoxy)-
CAS No: 82212-55-3 Catalog No: AG0056FN MDL No:
Product Description
Catalog Number:
AG0056FN
Chemical Name:
Pentanenitrile, 2-amino-2-(fluoromethyl)-5-(phenylmethoxy)-
CAS Number:
82212-55-3
Molecular Formula:
C13H17FN2O
Molecular Weight:
236.2853
IUPAC Name:
2-amino-2-(fluoromethyl)-5-phenylmethoxypentanenitrile
InChI:
InChI=1S/C13H17FN2O/c14-10-13(16,11-15)7-4-8-17-9-12-5-2-1-3-6-12/h1-3,5-6H,4,7-10,16H2
InChI Key:
ILZZWRJCTYOMCH-UHFFFAOYSA-N
SMILES:
FCC(CCCOCc1ccccc1)(C#N)N
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.29g/mol
Monoisotopic Mass:
236.132g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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