Home Nitriles 4-Amino-2,3-difluorobenzonitrile

4-Amino-2,3-difluorobenzonitrile

CAS No.:
112279-71-7
Catalog Number:
AG008V5W
Molecular Formula:
C7H4F2N2
Molecular Weight:
154.1169
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Product Description
Catalog Number:
AG008V5W
Chemical Name:
4-Amino-2,3-difluorobenzonitrile
CAS Number:
112279-71-7
Molecular Formula:
C7H4F2N2
Molecular Weight:
154.1169
MDL Number:
MFCD24386653
IUPAC Name:
4-amino-2,3-difluorobenzonitrile
InChI:
InChI=1S/C7H4F2N2/c8-6-4(3-10)1-2-5(11)7(6)9/h1-2H,11H2
InChI Key:
SITORLJYAUMNMW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1F)F)N
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.034g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
154.12g/mol
Monoisotopic Mass:
154.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties