Home Nitros 4-Fluoro-2-nitrophenylisothiocyanate

4-Fluoro-2-nitrophenylisothiocyanate

CAS No.:
1000576-88-4
Catalog Number:
AG01F4G4
Molecular Formula:
C7H3FN2O2S
Molecular Weight:
198.1743
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Product Description
Catalog Number:
AG01F4G4
Chemical Name:
4-Fluoro-2-nitrophenylisothiocyanate
CAS Number:
1000576-88-4
Molecular Formula:
C7H3FN2O2S
Molecular Weight:
198.1743
MDL Number:
MFCD09800782
IUPAC Name:
4-fluoro-1-isothiocyanato-2-nitrobenzene
InChI:
InChI=1S/C7H3FN2O2S/c8-5-1-2-6(9-4-13)7(3-5)10(11)12/h1-3H
InChI Key:
VHJCLELIUSMSDG-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1[N+](=O)[O-])F
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.99g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.171g/mol
Monoisotopic Mass:
197.99g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties