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Home > Nitro Compounds > 171809-20-4
171809-20-4 | 4-Methyl-3,5-dinitrobenzyl alcohol
CAS No: 171809-20-4 Catalog No: AG003LQL MDL No:
Product Description
Catalog Number:
AG003LQL
Chemical Name:
4-Methyl-3,5-dinitrobenzyl alcohol
CAS Number:
171809-20-4
IUPAC Name:
(4-methyl-3,5-dinitrophenyl)methanol
InChI:
InChI=1S/C8H8N2O5/c1-5-7(9(12)13)2-6(4-11)3-8(5)10(14)15/h2-3,11H,4H2,1H3
InChI Key:
CFABPPYLLXJWIW-UHFFFAOYSA-N
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.161g/mol
Monoisotopic Mass:
212.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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