Home Nitros 2-Fluoro-5-nitrophenylisothiocyanate

2-Fluoro-5-nitrophenylisothiocyanate

CAS No.:
340719-39-3
Catalog Number:
AG01EVLC
Molecular Formula:
C7H3FN2O2S
Molecular Weight:
198.1743
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Product Description
Catalog Number:
AG01EVLC
Chemical Name:
2-Fluoro-5-nitrophenylisothiocyanate
CAS Number:
340719-39-3
Molecular Formula:
C7H3FN2O2S
Molecular Weight:
198.1743
MDL Number:
MFCD09800781
IUPAC Name:
1-fluoro-2-isothiocyanato-4-nitrobenzene
InChI:
InChI=1S/C7H3FN2O2S/c8-6-2-1-5(10(11)12)3-7(6)9-4-13/h1-3H
InChI Key:
WIJSRXIJEVBAMC-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(ccc1F)[N+](=O)[O-]
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