Home Nitriles 3-amino-5-fluoro-2-nitrobenzonitrile

3-amino-5-fluoro-2-nitrobenzonitrile

CAS No.:
1379335-00-8
Catalog Number:
AG01B8OV
Molecular Formula:
C7H4FN3O2
Molecular Weight:
181.1240
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Product Description
Catalog Number:
AG01B8OV
Chemical Name:
3-amino-5-fluoro-2-nitrobenzonitrile
CAS Number:
1379335-00-8
Molecular Formula:
C7H4FN3O2
Molecular Weight:
181.1240
MDL Number:
MFCD20037768
IUPAC Name:
3-amino-5-fluoro-2-nitrobenzonitrile
InChI:
InChI=1S/C7H4FN3O2/c8-5-1-4(3-9)7(11(12)13)6(10)2-5/h1-2H,10H2
InChI Key:
BPWGSKIFSXBGIR-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)cc(c1[N+](=O)[O-])N
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.029g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.126g/mol
Monoisotopic Mass:
181.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties