Home Nitriles 4-(ChloroMethyl)-3-fluorobenzonitrile

4-(ChloroMethyl)-3-fluorobenzonitrile

CAS No.:
345903-03-9
Catalog Number:
AG00CKYK
Molecular Formula:
C8H5ClFN
Molecular Weight:
169.5834
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Product Description
Catalog Number:
AG00CKYK
Chemical Name:
4-(ChloroMethyl)-3-fluorobenzonitrile
CAS Number:
345903-03-9
Molecular Formula:
C8H5ClFN
Molecular Weight:
169.5834
MDL Number:
MFCD18394050
IUPAC Name:
4-(chloromethyl)-3-fluorobenzonitrile
InChI:
InChI=1S/C8H5ClFN/c9-4-7-2-1-6(5-11)3-8(7)10/h1-3H,4H2
InChI Key:
HBJIJFADGURZGI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)CCl
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.009g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.583g/mol
Monoisotopic Mass:
169.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties