3-{2-[4-(difluoromethoxy)phenyl]-2-oxidaniumylideneethylidene}triaz-1-en-1-ide

3-{2-[4-(difluoromethoxy)phenyl]-2-oxidaniumylideneethylidene}triaz-1-en-1-ide

CAS: 1260860-69-2

Formula: C9H7F2N3O2

SMILES: FC(F)OC1=CC=C(C=C1)C(=[OH+])C=NN=[N-]

IUPAC: 3-{2-[4-(difluoromethoxy)phenyl]-2-oxidaniumylideneethylidene}triaz-1-en-1-ide

InChI: InChI=1S/C9H6F2N3O2/c10-9(11)16-7-3-1-6(2-4-7)8(15)5-13-14-12/h1-5,9H/q-1/p+1

Composition: C (47.58%), H (3.11%), F (16.73%), N (18.50%), O (14.09%)

Molar Mass: 227.171

Atom Count: 23

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	227.050632803
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	SGBKKPQVTHOJNZ-UHFFFAOYSA-O
Lipinski's Rule of Five	1
Molar Refractivity	63.68
Topological Polar Surface Area	85.16
Polarizability	18.87
Ring Count	1
Rotatable Bond Count	5

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