Home Other Building Blocks 3,5-Difluorophenyl isothiocyanate

3,5-Difluorophenyl isothiocyanate

CAS No.:
302912-39-6
Catalog Number:
AG002ZI4
Molecular Formula:
C7H3F2NS
Molecular Weight:
171.1672
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$80
- +
5g
97%
1 week
United States
$163
- +
25g
97%
1 week
United States
$413
- +
Product Description
Catalog Number:
AG002ZI4
Chemical Name:
3,5-Difluorophenyl isothiocyanate
CAS Number:
302912-39-6
Molecular Formula:
C7H3F2NS
Molecular Weight:
171.1672
MDL Number:
MFCD02093786
IUPAC Name:
1,3-difluoro-5-isothiocyanatobenzene
InChI:
InChI=1S/C7H3F2NS/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H
InChI Key:
DXELGKWEMRVTGD-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(F)cc(c1)F
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.995g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.165g/mol
Monoisotopic Mass:
170.995g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties