4-(3,5-dinitrophenoxy)benzoic acid

4-(3,5-dinitrophenoxy)benzoic acid

CAS: 168839-42-7

Formula: C13H8N2O7

SMILES: OC(=O)C1=CC=C(OC2=CC(=CC(=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1

IUPAC: 4-(3,5-dinitrophenoxy)benzoic acid

InChI: InChI=1S/C13H8N2O7/c16-13(17)8-1-3-11(4-2-8)22-12-6-9(14(18)19)5-10(7-12)15(20)21/h1-7H,(H,16,17)

Composition: C (51.33%), H (2.65%), N (9.21%), O (36.81%)

Molar Mass: 304.214

Atom Count: 30

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	304.033150606
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	ATFCAZVCTUZJIS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.2
Topological Polar Surface Area	132.81
Polarizability	26.93
Ring Count	2
Rotatable Bond Count	5

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