2-(²H?)methyl-1,3-dinitrobenzene

2-(²H?)methyl-1,3-dinitrobenzene

CAS: 93951-90-7

Formula: C7H6N2O4

SMILES: [2H]C([2H])([2H])C1=C(C=CC=C1[N+]([O-])=O)[N+]([O-])=O

IUPAC: 2-(²H?)methyl-1,3-dinitrobenzene

InChI: InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3/i1D3

Composition: C (45.41%), H (1.63%), [2H] (3.26%), N (15.13%), O (34.56%)

Molar Mass: 185.153

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	185.051586919
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	XTRDKALNCIHHNI-FIBGUPNXSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.74
Topological Polar Surface Area	86.28
Polarizability	15.97
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	93951-90-7		$780.39$780.39