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Home > Nitro Compounds > 79544-31-3
79544-31-3 | Benzenemethanol,3,4-dinitro-
CAS No: 79544-31-3 Catalog No: AG005JC2 MDL No:MFCD00007094
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
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