3,6-Dimethyl-2,4-dinitrophenol - CAS 15968-56-6

Catalog:	BB011562
Product Name:	3,6-Dimethyl-2,4-dinitrophenol
CAS:	15968-56-6
Synonyms:	3,6-dimethyl-2,4-dinitrophenol; 3,6-dimethyl-2,4-dinitrophenol

Technical Data

Patents

Computed Properties

IUPAC Name:	3,6-dimethyl-2,4-dinitrophenol
Description:	3,6-Dimethyl-2,4-dinitrophenol (CAS# 15968-56-6 ) is a useful research chemical.
Molecular Weight:	212.16
Molecular Formula:	C8H8N2O5
Canonical SMILES:	CC1=CC(=C(C(=C1O)[N+](=O)[O-])C)[N+](=O)[O-]
InChI:	InChI=1S/C8H8N2O5/c1-4-3-6(9(12)13)5(2)7(8(4)11)10(14)15/h3,11H,1-2H3
InChI Key:	RROXWBBJMPCPHD-UHFFFAOYSA-N
Boiling Point:	332 °C at 760 mmHg
Density:	1.472 g/cm³
LogP:	2.87180

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine

Complexity:	271
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.04332136
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	212.04332136
Rotatable Bond Count:	0
Topological Polar Surface Area:	112
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5