Benzene, 1,3-difluoro-5-isothiocyanato-


Chemical Name: Benzene, 1,3-difluoro-5-isothiocyanato-
CAS Number: 302912-39-6
Product Number: AG002ZI4(AGN-PC-0KKMFJ)
Synonyms:
MDL No:
Molecular Formula: C7H3F2NS
Molecular Weight: 171.1672

Identification/Properties


Computed Properties
Molecular Weight:
171.165g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
170.995g/mol
Monoisotopic Mass:
170.995g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
169
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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