3-Methoxy-4-nitro-1H-pyrazole

CAT: 0127-OR1033809-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1033809-01Size:100 mg

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

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CAS Number

400755-41-1

Purity

97%

Smiles

O=[N+](C1=CNN=C1OC)[O-]

Chemical Information

3-methoxy-4-nitro-1H-pyrazole

CAS Number	400755-41-1
PubChem CID	4165828
IUPAC Name	5-methoxy-4-nitro-1H-pyrazole
Molecular Formula	C4H5N3O3
Molecular Weight	143.10
XLogP	0.3
Topological Polar Surface Area	83.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	134

SMILES

COC1=C(C=NN1)[N+](=O)[O-]

InChI

InChI=1S/C4H5N3O3/c1-10-4-3(7(8)9)2-5-6-4/h2H,1H3,(H,5,6)

InChIKey

GLNYWXCDHONDOZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 400755-41-1

CID: 4165828

Formula: C4H5N3O3

MW: 143.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	143.10
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	143.03309103
Monoisotopic Mass	143.03309103
Topological Polar Surface Area	83.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	134
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
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OR307294-01	4-Chloro-3-nitro-1H-pyrazole
OR307162-01	3-Bromo-4-nitro-1H-pyrazole
OR1003946-01	3-Chloro-4-nitro-1H-pyrazole
OR307254-01	4-Methyl-3-nitro-1H-pyrazole
OR8929-01	3-Methyl-4-nitro-1H-pyrazole
OR307163-01	3-Iodo-4-nitro-1H-pyrazole
OR13556	3-Nitro-1H-pyrazole-4-carbonitrile

Catalog	Name
ARA75541	3-Methoxy-4-nitro-1H-pyrazole
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abx184502-01	3-Nitro-1H-pyrazole
PBA20591-01	3-Nitro-1H-pyrazole-4-carboxamide
JH919925	3-Difluoromethyl-4-nitro-1H-pyrazole
ZEC83012-01	3-Cyclobutyl-4-nitro-1H-pyrazole
PWC04854-01	3- (Difluoromethyl) -4-nitro-1H-pyrazole
sc-316559	4-Iodo-3-nitro-1H-pyrazole
sc-322982	4-Bromo-3-nitro-1H-pyrazole
KBA85275-01	3-chloro-4-nitro-1H-pyrazole