2-(4-nitrophenyl)-1,3-oxazole-4-carboxylic acid

2-(4-nitrophenyl)-1,3-oxazole-4-carboxylic acid

CAS: 1457898-81-5

Formula: C10H6N2O5

SMILES: OC(=O)C1=COC(=N1)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 2-(4-nitrophenyl)-1,3-oxazole-4-carboxylic acid

InChI: InChI=1S/C10H6N2O5/c13-10(14)8-5-17-9(11-8)6-1-3-7(4-2-6)12(15)16/h1-5H,(H,13,14)

Composition: C (51.29%), H (2.58%), N (11.96%), O (34.16%)

Molar Mass: 234.167

Atom Count: 23

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	234.027671301
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	CISQMDBMEDATAY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.07
Topological Polar Surface Area	106.47
Polarizability	20.94
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1457898-81-5		$162.67-$244.63$162.67$244.63