2,4,6-trinitrophenol

2,4,6-trinitrophenol

CAS: 88-89-1

Formula: C6H3N3O7

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

IUPAC: 2,4,6-trinitrophenol

InChI: InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H

Composition: C (31.46%), H (1.32%), N (18.34%), O (48.88%)

Molar Mass: 229.104

Atom Count: 19

Heavy Atom Count: 16

Properties

Properties

Common Names	acide picrique
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	228.997099449
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	OXNIZHLAWKMVMX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47
Topological Polar Surface Area	149.65
Polarizability	17.09
Ring Count	1
Rotatable Bond Count	3

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