Methyl 3,5-dinitrosalicylate

CAT: 0926-FM25407-01Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FM25407-01Size:5 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

22633-33-6

Synonyms

3,5-Dinitro salicylic acid methyl ester; NSC 203306; Methyl 2-hydroxy-3,5-dinitrobenzoate

MDL Number

MFCD00017561

Smiles

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

Molecular Formula

C8H6N2O7

Molecular Weight

242.14 g/mol

Controlled

Chemical Information

Methyl 3,5-dinitrosalicylate

CAS Number	22633-33-6
PubChem CID	89779
IUPAC Name	methyl 2-hydroxy-3,5-dinitrobenzoate
Molecular Formula	C8H6N2O7
Molecular Weight	242.14
XLogP	1.6
Topological Polar Surface Area	138
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	334

SMILES

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

InChI

InChI=1S/C8H6N2O7/c1-17-8(12)5-2-4(9(13)14)3-6(7(5)11)10(15)16/h2-3,11H,1H3

InChIKey

UMELTKSLWXJXNZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22633-33-6

CID: 89779

Formula: C8H6N2O7

MW: 242.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	242.14
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	242.01750053
Monoisotopic Mass	242.01750053
Topological Polar Surface Area	138 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	334
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
PAA98318-01	Methyl 3-methyl-5-oxohexanoate
HUA31123	Methyl 3-methyl-5-nitrobenzoate
LGA62218-01	Methyl 3-methyl-5- (trifluoromethyl) benzoate
QDA39028-01	[ (3,5-Difluorophenyl) methyl] (methyl) amine
FCA95424	Methyl 3,5-dichlorobenzeneacetate
PCA37343-01	5-Methyl-3-oxohexanenitrile
PAA26619-01	Methyl 3,5-diiodobenzoate
IDA24591-01	3-Methyl-5-phenylaniline
GAA96020-01	3-Methyl-5-nitropyridine
FM54021	3-Methyl-5-phenylpyrazole

Catalog	Name
sc-263599	Methyl 3,5-dinitrosalicylate
239747-01	Methyl 5-methyl-3-isoxazolecarboxylate
OR1040542-01	Methyl 3-methyl-5-nitropicolinate
GTR19254672-01	Methyl 5-methyl-3-oxohexanoate
OR908081-01	Methyl 3-methyl-5-nitrobenzoate
JH918297	3-methyl-3-butenyl 5-methyl-hexanoate
TRC-M573470-1G	5-Methyl-3-[(5-methyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine
OR96188-01	Methyl 2-methyl-3,5-dinitrobenzoate
M330958	Methyl 3-methyl-5-(trifluoromethyl)benzoate
OR1085946-01	Methyl 3-methyl-5- (methylthio) benzoate