Home Nitros Benzene,1-isothiocyanato-2-methyl-4-nitro-

Benzene,1-isothiocyanato-2-methyl-4-nitro-

CAS No.:
135805-96-8
Catalog Number:
AG0072AY
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0072AY
Chemical Name:
Benzene,1-isothiocyanato-2-methyl-4-nitro-
CAS Number:
135805-96-8
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
MDL Number:
MFCD00060542
IUPAC Name:
1-isothiocyanato-2-methyl-4-nitrobenzene
InChI:
InChI=1S/C8H6N2O2S/c1-6-4-7(10(11)12)2-3-8(6)9-5-13/h2-4H,1H3
InChI Key:
JEWJPETZSUMXII-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1C)[N+](=O)[O-]
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.015g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.208g/mol
Monoisotopic Mass:
194.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties