1-Ethylbenzotriazole

CAT: 0926-RAA58405-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-RAA58405-01Size:50 mg

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CAS Number

16584-05-7

MDL Number

MFCD00464850

Smiles

CCN1C2=CC=CC=C2N=N1

Molecular Formula

C8H9N3

Molecular Weight

147.18 g/mol

Controlled

Chemical Information

1-Ethylbenzotriazole

CAS Number	16584-05-7
PubChem CID	27939
IUPAC Name	1-ethylbenzotriazole
Molecular Formula	C8H9N3
Molecular Weight	147.18
XLogP	1.6
Topological Polar Surface Area	30.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	137

SMILES

CCN1C2=CC=CC=C2N=N1

InChI

InChI=1S/C8H9N3/c1-2-11-8-6-4-3-5-7(8)9-10-11/h3-6H,2H2,1H3

InChIKey

VGCWCUQMEWJQSU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16584-05-7

CID: 27939

Formula: C8H9N3

MW: 147.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	147.18
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	147.079647300
Monoisotopic Mass	147.079647300
Topological Polar Surface Area	30.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	137
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OF59775-01	1,1,1,1,1-Kestoheptaose
OK59466-01	1,1,1,1-Kestohexose
IFA69273-01	1-Iodobicyclo[1.1.1]pentane
DFA88480-01	1-Bromobicyclo[1.1.1]pentane
AAA91800	1,1,1-Trichloroacetone
FT77421-01	1,1,1-Trifluorobutane
OK32473-01	1,1,1-Kestopentaose
FT78177-01	1,1,1-Trifluoronitroethane
QEA91330-01	1,1'- (Bicyclo[1.1.1]pentane-1,3-diyl) diethanone
FB33678-01	1,1'-Bicyclo[1,1,1]pentane-1,3-dicarboxylic acid

Catalog	Name
OR1063821	Methyl 1-ethylbenzotriazole-5-carboxylate
297272-01	1,1,1,1,1-Kestoheptaose
N2864-5.1	1,1,1,1-Kestohexaose
112040	1,1,1,1-Kestohexose
410417-01	1,1,1-Trichloromethanesulfonic Acid 1,1'-Anhydride
OR312388	1-Phenylbicyclo[1.1.1]pentane
GTR19217879-01	AMPK-α1β1γ1 activator 1
OR300179	1-Isothiocyanatobicyclo[1.1.1]pentane
OR300174	1-Isocyanatobicyclo[1.1.1]pentane