3,6-dimethyl-2-nitrophenol

3,6-dimethyl-2-nitrophenol

CAS: 71608-10-1

Formula: C8H9NO3

SMILES: CC1=CC=C(C)C(=C1O)[N+]([O-])=O

IUPAC: 3,6-dimethyl-2-nitrophenol

InChI: InChI=1S/C8H9NO3/c1-5-3-4-6(2)8(10)7(5)9(11)12/h3-4,10H,1-2H3

Composition: C (57.48%), H (5.43%), N (8.38%), O (28.71%)

Molar Mass: 167.164

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	167.058243154
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VIQHHRZADKSPIM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.44
Topological Polar Surface Area	63.37
Polarizability	16.37
Ring Count	1
Rotatable Bond Count	1

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