Home Nitros Benzenemethanol,3,4-dinitro-

Benzenemethanol,3,4-dinitro-

CAS No.:
79544-31-3
Catalog Number:
AG005JC2
Molecular Formula:
C7H6N2O5
Molecular Weight:
198.1329
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG005JC2
Chemical Name:
Benzenemethanol,3,4-dinitro-
CAS Number:
79544-31-3
Molecular Formula:
C7H6N2O5
Molecular Weight:
198.1329
MDL Number:
MFCD00007094
IUPAC Name:
(3,4-dinitrophenyl)methanol
InChI:
InChI=1S/C7H6N2O5/c10-4-5-1-2-6(8(11)12)7(3-5)9(13)14/h1-3,10H,4H2
InChI Key:
GALBVKDHQBDIJR-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-]
EC Number:
279-178-9
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.028g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.134g/mol
Monoisotopic Mass:
198.028g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties