Compound EN300-233709

CAT: 0013-GTR19280010-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19280010-01Size:1 mg

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Description

Compound EN300-233709, with CAS No. 1803857-00-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound EN300-233709 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.

CAS Number

1803857-00-2

Smiles

CCOc1nc (cc (cc2) [N+] ([O-]) =O) c2o1

Molecular Formula

C9H8N2O4

Molecular Weight

208.17

Notes

For research use only.

Chemical Information

2-Ethoxy-5-nitro-1,3-benzoxazole

CAS Number	1803857-00-2
PubChem CID	121552419
IUPAC Name	2-ethoxy-5-nitro-1,3-benzoxazole
Molecular Formula	C9H8N2O4
Molecular Weight	208.17
XLogP	2.7
Topological Polar Surface Area	81.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	243

SMILES

CCOC1=NC2=C(O1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C9H8N2O4/c1-2-14-9-10-7-5-6(11(12)13)3-4-8(7)15-9/h3-5H,2H2,1H3

InChIKey

ZPAALTJALBYTDM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1803857-00-2

CID: 121552419

Formula: C9H8N2O4

MW: 208.17

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	208.17
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	208.04840674
Monoisotopic Mass	208.04840674
Topological Polar Surface Area	81.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	243
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

Related Products

Catalog	Name
GTR19280022-01	Compound EN300-88285
GTR19280020-01	Compound EN300-06260
GTR19280017-01	Compound EN300-24646
GTR19280015-01	Compound EN300-62851
GTR19270227-01	Compound EN300-24520
GTR19270223-01	Compound EN300-113927
GTR19270222-01	Compound EN300-219925
GTR19270221-01	Compound EN300-365455
GTR19270233-01	Compound EN300-1724756
GTR19280023-01	Compound EN300-121824

Alternative Products

Catalog	Name
TPL0629-01	Compound EN300-633485
TPL0609-01	Compound EN300-17566
TPL0569-01	Compound EN300-31407
TPL0564-01	Compound EN300-40916
TPL0559-01	Compound EN300-6472184
TPL0555-01	Compound EN300-11249
TPL0536-01	Compound EN300-39700
TPL0524-01	Compound EN300-129161
TPL0512-01	Compound EN300-96594
TPL0456-01	Compound EN300-127253

Compound EN300-233709

Chemical Information

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