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

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

CAS: 6595-28-4

Formula: C9H9N3O2

SMILES: COC1=CC=C(C=C1)C(=[OH+])C=NN=[N-]

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

InChI: InChI=1S/C9H8N3O2/c1-14-8-4-2-7(3-5-8)9(13)6-11-12-10/h2-6H,1H3/q-1/p+1

Composition: C (56.54%), H (4.75%), N (21.98%), O (16.74%)

Molar Mass: 191.19

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	191.069476542
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	QELGCUKPAYBSJB-UHFFFAOYSA-O
Lipinski's Rule of Five	1
Molar Refractivity	63.67
Topological Polar Surface Area	85.16
Polarizability	19.23
Ring Count	1
Rotatable Bond Count	4

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Life Chemicals USA, Inc.

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	6595-28-4		$143.55-$1,650.33$143.55$237.60$393.03$786.06$1,179.09$1,650.33

Struchem co.,ltd

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95%	<5 Days	6595-28-4		$1,440.00-$2,860.00$1,440.00$1,920.00$2,860.00