Text Search
Structure Search

3-(2-oxidaniumylidene-2-phenylethylidene)triaz-1-en-1-ide

3-(2-oxidaniumylidene-2-phenylethylidene)triaz-1-en-1-ide

CAS: 1816-88-2

Formula: C8H7N3O

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

IUPAC: 3-(2-oxidaniumylidene-2-phenylethylidene)triaz-1-en-1-ide

InChI: InChI=1S/C8H6N3O/c9-11-10-6-8(12)7-4-2-1-3-5-7/h1-6H/q-1/p+1

Composition: C (59.62%), H (4.38%), N (26.07%), O (9.93%)

Molar Mass: 161.164

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 161.058911857
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey JEKMXGAXMPSDQH-UHFFFAOYSA-O
Lipinski's Rule of Five 1
Molar Refractivity 57.2
Topological Polar Surface Area 75.93
Polarizability 16.69
Ring Count 1
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Struchem co.,ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1816-88-2 $590.00-$4,224.00$590.00$2,420.00$4,224.00
Request Quote