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Home Nitros 3,5-Dinitrobenzyl alcohol

3,5-Dinitrobenzyl alcohol

CAS No.:
71022-43-0
Catalog Number:
AG0061J2
Molecular Formula:
C7H6N2O5
Molecular Weight:
198.1329
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$32
- +
5g
98%
In Stock USA
United States
$75
- +
25g
98%
In Stock USA
United States
$250
- +
100g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG0061J2
Chemical Name:
3,5-Dinitrobenzyl alcohol
CAS Number:
71022-43-0
Molecular Formula:
C7H6N2O5
Molecular Weight:
198.1329
MDL Number:
MFCD00007235
IUPAC Name:
(3,5-dinitrophenyl)methanol
InChI:
InChI=1S/C7H6N2O5/c10-4-5-1-6(8(11)12)3-7(2-5)9(13)14/h1-3,10H,4H2
InChI Key:
GPHYIQCSMDYRGJ-UHFFFAOYSA-N
SMILES:
OCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
EC Number:
275-131-1
UNII:
111Z6Y5YNW
Properties
Complexity:
211  
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:
0.7  
Literature
Title Journal
3,5-Dinitro-benzyl methane-sulfonate. Acta crystallographica. Section E, Structure reports online 20080801
Pi-Pi complexation of bupivacaine and analogues with aromatic receptors: implications for overdose remediation. International journal of nanomedicine 20070901
Properties