3-nitro-1-benzofuran-5-ol

3-nitro-1-benzofuran-5-ol

CAS: 126318-27-2

Formula: C8H5NO4

SMILES: OC1=CC=C2OC=C(C2=C1)[N+]([O-])=O

IUPAC: 3-nitro-1-benzofuran-5-ol

InChI: InChI=1S/C8H5NO4/c10-5-1-2-8-6(3-5)7(4-13-8)9(11)12/h1-4,10H

Composition: C (53.64%), H (2.81%), N (7.82%), O (35.73%)

Molar Mass: 179.131

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	179.021857645
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZQPBTBWGCWHIGU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.2
Topological Polar Surface Area	76.51
Polarizability	17.22
Ring Count	2
Rotatable Bond Count	1

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