2-[(4-nitrophenyl)methyl]propanedinitrile

2-[(4-nitrophenyl)methyl]propanedinitrile

CAS: 6731-53-9

Formula: C10H7N3O2

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

IUPAC: 2-[(4-nitrophenyl)methyl]propanedinitrile

InChI: InChI=1S/C10H7N3O2/c11-6-9(7-12)5-8-1-3-10(4-2-8)13(14)15/h1-4,9H,5H2

Composition: C (59.70%), H (3.51%), N (20.89%), O (15.90%)

Molar Mass: 201.185

Atom Count: 22

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	201.053826477
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	ZDSSWGOAKPAKBU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.54
Topological Polar Surface Area	90.72
Polarizability	19.29
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	6731-53-9		$51.35-$674.07$51.35$63.37$86.31$143.12$225.06$674.07