Home Other Building Blocks 4-NITROBENZOYL ISOTHIOCYANATE

4-NITROBENZOYL ISOTHIOCYANATE

CAS No.:
28115-92-6
Catalog Number:
AG00BDYQ
Molecular Formula:
C8H4N2O3S
Molecular Weight:
208.1940
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$63
- +
5g
95%
1 week
United States
$123
- +
25g
95%
1 week
United States
$371
- +
Product Description
Catalog Number:
AG00BDYQ
Chemical Name:
4-NITROBENZOYL ISOTHIOCYANATE
CAS Number:
28115-92-6
Molecular Formula:
C8H4N2O3S
Molecular Weight:
208.1940
MDL Number:
MFCD00041252
IUPAC Name:
4-nitrobenzoyl isothiocyanate
InChI:
InChI=1S/C8H4N2O3S/c11-8(9-5-14)6-1-3-7(4-2-6)10(12)13/h1-4H
InChI Key:
UNYZFXQNOYBLFS-UHFFFAOYSA-N
SMILES:
S=C=NC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.994g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.191g/mol
Monoisotopic Mass:
207.994g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties