5-(2-nitrophenoxymethyl)thiophene-2-carboxylic acid

5-(2-nitrophenoxymethyl)thiophene-2-carboxylic acid

CAS: 934155-49-4

Formula: C12H9NO5S

SMILES: OC(=O)C1=CC=C(COC2=CC=CC=C2[N+]([O-])=O)S1

IUPAC: 5-[(2-nitrophenoxy)methyl]thiophene-2-carboxylic acid

InChI: InChI=1S/C12H9NO5S/c14-12(15)11-6-5-8(19-11)7-18-10-4-2-1-3-9(10)13(16)17/h1-6H,7H2,(H,14,15)

Composition: C (51.61%), H (3.25%), N (5.02%), O (28.64%), S (11.48%)

Molar Mass: 279.27

Atom Count: 28

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	279.020143568
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	IVIPBUFLZPQQJL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.38
Topological Polar Surface Area	89.67
Polarizability	25.46
Ring Count	2
Rotatable Bond Count	5

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