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methyl 3-nitronaphthalene-1-carboxylate

methyl 3-nitronaphthalene-1-carboxylate

CAS: 13772-63-9

Formula: C12H9NO4

SMILES: COC(=O)C1=CC(=CC2=CC=CC=C12)[N+]([O-])=O

IUPAC: methyl 3-nitronaphthalene-1-carboxylate

InChI: InChI=1S/C12H9NO4/c1-17-12(14)11-7-9(13(15)16)6-8-4-2-3-5-10(8)11/h2-7H,1H3

Composition: C (62.34%), H (3.92%), N (6.06%), O (27.68%)

Molar Mass: 231.207

Atom Count: 26

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 231.053157774
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey QFUDSCNJHFVWIB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.85
Topological Polar Surface Area 69.44
Polarizability 24.12
Ring Count 2
Rotatable Bond Count 3

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