ethyl 7-bromo-2H-1,2,3-benzotriazole-5-carboxylate

ethyl 7-bromo-2H-1,2,3-benzotriazole-5-carboxylate

Formula: C9H8BrN3O2

SMILES: CCOC(=O)C1=CC2=NNN=C2C(Br)=C1

IUPAC: ethyl 7-bromo-2H-1,2,3-benzotriazole-5-carboxylate

InChI: InChI=1S/C9H8BrN3O2/c1-2-15-9(14)5-3-6(10)8-7(4-5)11-13-12-8/h3-4H,2H2,1H3,(H,11,12,13)

Composition: C (40.02%), H (2.99%), Br (29.58%), N (15.56%), O (11.85%)

Molar Mass: 270.086

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	268.97999
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HJZDKZUAVJDISU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.78
Topological Polar Surface Area	67.87
Polarizability	22.91
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C9H8BrN3O2		Quote Only