Home Nitros Benzene, 1-nitro-4-[(trifluoromethyl)sulfinyl]-

Benzene, 1-nitro-4-[(trifluoromethyl)sulfinyl]-

CAS No.:
394-60-5
Catalog Number:
AG00I7RB
Molecular Formula:
C7H4F3NO3S
Molecular Weight:
239.1718
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Product Description
Catalog Number:
AG00I7RB
Chemical Name:
Benzene, 1-nitro-4-[(trifluoromethyl)sulfinyl]-
CAS Number:
394-60-5
Molecular Formula:
C7H4F3NO3S
Molecular Weight:
239.1718
MDL Number:
MFCD06802273
IUPAC Name:
1-nitro-4-(trifluoromethylsulfinyl)benzene
InChI:
InChI=1S/C7H4F3NO3S/c8-7(9,10)15(14)6-3-1-5(2-4-6)11(12)13/h1-4H
InChI Key:
FEEZTKJJCSPLDF-UHFFFAOYSA-N
SMILES:
FC(S(=O)c1ccc(cc1)[N+](=O)[O-])(F)F
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.986g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.168g/mol
Monoisotopic Mass:
238.986g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties