Free Chemical Databases
-
[Synonyms]
6-Nitro-m-cresol
5-METHYL-2-NITROPHENOL
m-Cresol, 6-nitro-
3-Methyl-6-nitrophenol
Phenol, 5-methyl-2-nitro-
3-Hydroxy-4-nitrotoluene
137790_ALDRICH
NSC 3142
73462_FLUKA
EINECS 211-843-0
[Structure]
[ Properties Computed from Structure]
Molecular Weight 153.13538 [g/mol] Molecular Formula C7H7NO3 XLogP 2.6 H-Bond Donor 1 H-Bond Acceptor 3 Rotatable Bond Count 0 Tautomer Count 12 Exact Mass 153.042593 MonoIsotopic Mass 153.042593 Topological Polar Surface Area 63.4 Heavy Atom Count 11 Formal Charge 0 Complexity 154 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 5-methyl-2-nitrophenol
Canonical SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])O
InChI: InChI=1/C7H7NO3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3
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