Home Nitros 4-Bromo-2-nitro-1-thiocyanatobenzene

4-Bromo-2-nitro-1-thiocyanatobenzene

CAS No.:
157645-54-0
Catalog Number:
AG001PKY
Molecular Formula:
C7H3BrN2O2S
Molecular Weight:
259.0799
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
96%
In Stock USA
United States
$113
- +
250mg
96%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG001PKY
Chemical Name:
4-Bromo-2-nitro-1-thiocyanatobenzene
CAS Number:
157645-54-0
Molecular Formula:
C7H3BrN2O2S
Molecular Weight:
259.0799
MDL Number:
MFCD12546511
IUPAC Name:
(4-bromo-2-nitrophenyl) thiocyanate
InChI:
InChI=1S/C7H3BrN2O2S/c8-5-1-2-7(13-4-9)6(3-5)10(11)12/h1-3H
InChI Key:
XGXZHZFRPAQKCH-UHFFFAOYSA-N
SMILES:
N#CSc1ccc(cc1[N+](=O)[O-])Br
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.91g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.077g/mol
Monoisotopic Mass:
257.91g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties