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methyl 5-nitronaphthalene-1-carboxylate

methyl 5-nitronaphthalene-1-carboxylate

CAS: 59866-98-7

Formula: C12H9NO4

SMILES: COC(=O)C1=C2C=CC=C(C2=CC=C1)[N+]([O-])=O

IUPAC: methyl 5-nitronaphthalene-1-carboxylate

InChI: InChI=1S/C12H9NO4/c1-17-12(14)10-6-2-5-9-8(10)4-3-7-11(9)13(15)16/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 VTWNAKCYACXMGI-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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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 59866-98-7 $1,860.00-$3,190.00$1,860.00$2,420.00$3,190.00
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