2-(difluoromethyl)-5-nitro-1H-1,3-benzodiazole

2-(difluoromethyl)-5-nitro-1H-1,3-benzodiazole

CAS: 97273-25-1

Formula: C8H5F2N3O2

SMILES: [O-][N+](=O)C1=CC=C2NC(=NC2=C1)C(F)F

IUPAC: 2-(difluoromethyl)-5-nitro-1H-1,3-benzodiazole

InChI: InChI=1S/C8H5F2N3O2/c9-7(10)8-11-5-2-1-4(13(14)15)3-6(5)12-8/h1-3,7H,(H,11,12)

Composition: C (45.08%), H (2.36%), F (17.83%), N (19.71%), O (15.01%)

Molar Mass: 213.144

Atom Count: 20

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	213.034982739
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UYYBCQBMLAMMSG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.87
Topological Polar Surface Area	71.82
Polarizability	17.94
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	97273-25-1		$149.04-$248.40$149.04$248.40