2'-methyl-7'-nitrospiro[cyclopropane-1,4'-isoquinoline]-1',3'-dione

2'-methyl-7'-nitrospiro[cyclopropane-1,4'-isoquinoline]-1',3'-dione

CAS: 1092795-10-2

Formula: C12H10N2O4

SMILES: CN1C(=O)C2=CC(=CC=C2C2(CC2)C1=O)[N+]([O-])=O

IUPAC: 2'-methyl-7'-nitro-2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-isoquinoline]-1',3'-dione

InChI: InChI=1S/C12H10N2O4/c1-13-10(15)8-6-7(14(17)18)2-3-9(8)12(4-5-12)11(13)16/h2-3,6H,4-5H2,1H3

Composition: C (58.54%), H (4.09%), N (11.38%), O (25.99%)

Molar Mass: 246.222

Atom Count: 28

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	246.06405681
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	UTQCMTNEMWHHNY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.86
Topological Polar Surface Area	80.52
Polarizability	22.95
Ring Count	3
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	1092795-10-2		$457.70-$3,312.00$457.70$687.70$977.50$1,587.00$2,297.70$3,312.00