5-(3-nitrophenyl)thiophene-2-carboxylic acid

5-(3-nitrophenyl)thiophene-2-carboxylic acid

CAS: 341015-21-2

Formula: C11H7NO4S

SMILES: OC(=O)C1=CC=C(S1)C1=CC(=CC=C1)[N+]([O-])=O

IUPAC: 5-(3-nitrophenyl)thiophene-2-carboxylic acid

InChI: InChI=1S/C11H7NO4S/c13-11(14)10-5-4-9(17-10)7-2-1-3-8(6-7)12(15)16/h1-6H,(H,13,14)

Composition: C (53.01%), H (2.83%), N (5.62%), O (25.68%), S (12.86%)

Molar Mass: 249.24

Atom Count: 24

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	249.009578883
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	GSBHPZWXHNZNTC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.44
Topological Polar Surface Area	80.44
Polarizability	24.18
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	341015-21-2		$51.35-$1,078.30$51.35$63.37$86.31$225.06$359.43$1,078.30