3-methyl-5-nitrophenol

3-methyl-5-nitrophenol

CAS: 127818-58-0

Formula: C7H7NO3

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

IUPAC: 3-methyl-5-nitrophenol

InChI: InChI=1S/C7H7NO3/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,9H,1H3

Composition: C (54.90%), H (4.61%), N (9.15%), O (31.34%)

Molar Mass: 153.137

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	153.042593089
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KDKCEPVMXOUFJD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.4
Topological Polar Surface Area	63.37
Polarizability	14.61
Ring Count	1
Rotatable Bond Count	1

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