4-Methyl-2,6-dinitrophenol

CAT: 0024-sc-238902Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-238902Size:25 g

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CAS Number

609-93-8

Chemical Information

2,6-Dinitro-p-cresol

CAS Number	609-93-8
PubChem CID	11872
IUPAC Name	4-methyl-2,6-dinitrophenol
Molecular Formula	C7H6N2O5
Molecular Weight	198.13
XLogP	1.7
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	221

SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)7(10)6(3-4)9(13)14/h2-3,10H,1H3

InChIKey

HOYRZHJJAHRMLL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 609-93-8

CID: 11872

Formula: C7H6N2O5

MW: 198.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.13
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	198.02767130
Monoisotopic Mass	198.02767130
Topological Polar Surface Area	112 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	221
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-238139	2-Methyl-4,6-dinitrophenol
sc-230142	2-Chloro-4,6-dinitrophenol
sc-487409	4-tert-Butyl-2,6-dinitrophenol
sc-328400	Methyl 2-methyl-4,6-dioxocyclohexanecarboxylate
sc-265806	2-methyl-4,6-dihydroxypyrimidine
sc-300028	6-Methyl-2,4-pyrimidinediamine
sc-233621	6-Methyl-2,4-heptanedione
sc-495716	Methyl 2,4,6-trimethylbenzoate
sc-300028A	6-Methyl-2,4-pyrimidinediamine
sc-232861	4-Methyl-2,6-dimethoxyphenol

Catalog	Name
CS-EC-00020	2-Methyl-4,6-dinitrophenol
TRC-M342690-10MG	4-methyl-2,5-dinitrophenol
FC162291	2-Cyclohexyl-4,6-dinitrophenol
DCA55950-01	4-Methanesulfonyl-2,6-dinitrophenol
QBA46695-01	4-Bromo-2,6-dinitrophenol
OR52180-01	2-Chloro-4,6-dinitrophenol
RG-P022787-01	4-Chloro-2,6-Dinitrophenol
OR2761-01	3,4-Dichloro-2,6-dinitrophenol
FB70092-01	4-tert-Butyl-2,6-dinitrophenol
13518-82	2,4-Dinitrophenol