Home Nitriles 3-(3,4-difluorophenyl)prop-2-enenitrile

3-(3,4-difluorophenyl)prop-2-enenitrile

CAS No.:
1459719-83-5
Catalog Number:
AG019SSP
Molecular Formula:
C9H5F2N
Molecular Weight:
165.1395
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Product Description
Catalog Number:
AG019SSP
Chemical Name:
3-(3,4-difluorophenyl)prop-2-enenitrile
CAS Number:
1459719-83-5
Molecular Formula:
C9H5F2N
Molecular Weight:
165.1395
MDL Number:
MFCD16083050
IUPAC Name:
3-(3,4-difluorophenyl)prop-2-enenitrile
InChI:
InChI=1S/C9H5F2N/c10-8-4-3-7(2-1-5-12)6-9(8)11/h1-4,6H
InChI Key:
OHHDNIVVIHGFEI-UHFFFAOYSA-N
SMILES:
N#CC=Cc1ccc(c(c1)F)F
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.039g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.143g/mol
Monoisotopic Mass:
165.039g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.3  
Properties