Home Nitriles 3,4-Difluoro-2-methylbenzonitrile

3,4-Difluoro-2-methylbenzonitrile

CAS No.:
847502-83-4
Catalog Number:
AG003IGS
Molecular Formula:
C8H5F2N
Molecular Weight:
153.1288
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
1 week
United States
$723
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Product Description
Catalog Number:
AG003IGS
Chemical Name:
3,4-Difluoro-2-methylbenzonitrile
CAS Number:
847502-83-4
Molecular Formula:
C8H5F2N
Molecular Weight:
153.1288
MDL Number:
MFCD07777154
IUPAC Name:
3,4-difluoro-2-methylbenzonitrile
InChI:
InChI=1S/C8H5F2N/c1-5-6(4-11)2-3-7(9)8(5)10/h2-3H,1H3
InChI Key:
LMGHUTIUVKVZNH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1C)F)F
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.039g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.132g/mol
Monoisotopic Mass:
153.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties