Home Nitriles 2-Propenenitrile,3-(3-fluorophenyl)-,(E)-(9CI)

2-Propenenitrile,3-(3-fluorophenyl)-,(E)-(9CI)

CAS No.:
82344-56-7
Catalog Number:
AG00GJUE
Molecular Formula:
C9H6FN
Molecular Weight:
147.1490
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Product Description
Catalog Number:
AG00GJUE
Chemical Name:
2-Propenenitrile,3-(3-fluorophenyl)-,(E)-(9CI)
CAS Number:
82344-56-7
Molecular Formula:
C9H6FN
Molecular Weight:
147.1490
MDL Number:
MFCD16083018
IUPAC Name:
3-(3-fluorophenyl)prop-2-enenitrile
InChI:
InChI=1S/C9H6FN/c10-9-5-1-3-8(7-9)4-2-6-11/h1-5,7H
InChI Key:
LZCORSHIMPJAAK-UHFFFAOYSA-N
SMILES:
N#CC=Cc1cccc(c1)F
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.048g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.152g/mol
Monoisotopic Mass:
147.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.8  
Properties