5-(3-nitrophenyl)-1,3-oxazole-4-carboxylic acid

5-(3-nitrophenyl)-1,3-oxazole-4-carboxylic acid

CAS: 951885-28-2

Formula: C10H6N2O5

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

IUPAC: 5-(3-nitrophenyl)-1,3-oxazole-4-carboxylic acid

InChI: InChI=1S/C10H6N2O5/c13-10(14)8-9(17-5-11-8)6-2-1-3-7(4-6)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	TXIIRMPKHMVIGN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.99
Topological Polar Surface Area	106.47
Polarizability	21.57
Ring Count	2
Rotatable Bond Count	3

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