3-[2-(3,4-difluorophenyl)-2-oxidaniumylideneethylidene]triaz-1-en-1-ide

3-[2-(3,4-difluorophenyl)-2-oxidaniumylideneethylidene]triaz-1-en-1-ide

CAS: 1314963-52-4

Formula: C8H5F2N3O

SMILES: FC1=C(F)C=C(C=C1)C(=[OH+])C=NN=[N-]

IUPAC: 3-[2-(3,4-difluorophenyl)-2-oxidaniumylideneethylidene]triaz-1-en-1-ide

InChI: InChI=1S/C8H4F2N3O/c9-6-2-1-5(3-7(6)10)8(14)4-12-13-11/h1-4H/q-1/p+1

Composition: C (48.74%), H (2.56%), F (19.27%), N (21.31%), O (8.12%)

Molar Mass: 197.145

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	197.040068119
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	BVLNNYBBXBGTQH-UHFFFAOYSA-O
Lipinski's Rule of Five	1
Molar Refractivity	57.64
Topological Polar Surface Area	75.93
Polarizability	16.24
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1314963-52-4		$1,440.00-$2,860.00$1,440.00$1,920.00$2,860.00