Home Halogens 1-bromo-2-isothiocyanato-4-(trifluoromethyl)benzene

1-bromo-2-isothiocyanato-4-(trifluoromethyl)benzene

CAS No.:
862902-36-1
Catalog Number:
AG00LP11
Molecular Formula:
C8H3BrF3NS
Molecular Weight:
282.0803
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$330
- +
5g
97%
1 week
United States
$913
- +
25g
97%
1 week
United States
$2594
- +
Product Description
Catalog Number:
AG00LP11
Chemical Name:
1-bromo-2-isothiocyanato-4-(trifluoromethyl)benzene
CAS Number:
862902-36-1
Molecular Formula:
C8H3BrF3NS
Molecular Weight:
282.0803
MDL Number:
MFCD00060362
IUPAC Name:
1-bromo-2-isothiocyanato-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H3BrF3NS/c9-6-2-1-5(8(10,11)12)3-7(6)13-4-14/h1-3H
InChI Key:
XPKODFKZRHFVTC-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(ccc1Br)C(F)(F)F
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.912g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.078g/mol
Monoisotopic Mass:
280.912g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Properties