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Home > Nitro Compounds > 80866-94-0
80866-94-0 | 2-Methyl-3,5-dinitrobenzyl alcohol
CAS No: 80866-94-0 Catalog No: AG003HMD MDL No:
Product Description
Catalog Number:
AG003HMD
Chemical Name:
2-Methyl-3,5-dinitrobenzyl alcohol
CAS Number:
80866-94-0
IUPAC Name:
(2-methyl-3,5-dinitrophenyl)methanol
InChI:
InChI=1S/C8H8N2O5/c1-5-6(4-11)2-7(9(12)13)3-8(5)10(14)15/h2-3,11H,4H2,1H3
InChI Key:
HLBXFLNVFJFEKD-UHFFFAOYSA-N
EC Number:
279-597-7
Properties
Complexity:
259
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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