3,6-dimethyl-2,4-dinitrophenol

3,6-dimethyl-2,4-dinitrophenol

CAS: 15968-56-6

Formula: C8H8N2O5

SMILES: CC1=C(O)C(=C(C)C(=C1)[N+]([O-])=O)[N+]([O-])=O

IUPAC: 3,6-dimethyl-2,4-dinitrophenol

InChI: InChI=1S/C8H8N2O5/c1-4-3-6(9(12)13)5(2)7(8(4)11)10(14)15/h3,11H,1-2H3

Composition: C (45.29%), H (3.80%), N (13.20%), O (37.70%)

Molar Mass: 212.161

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	212.043321366
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	RROXWBBJMPCPHD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.76
Topological Polar Surface Area	106.51
Polarizability	18.41
Ring Count	1
Rotatable Bond Count	2

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