5-bromo-1H-1,2,4-triazole-3-carboxylic acid; triethylamine

5-bromo-1H-1,2,4-triazole-3-carboxylic acid; triethylamine

Formula: C9H17BrN4O2

SMILES: CCN(CC)CC.OC(=O)C1=NNC(Br)=N1

IUPAC: 5-bromo-1H-1,2,4-triazole-3-carboxylic acid; triethylamine

InChI: InChI=1S/C6H15N.C3H2BrN3O2/c1-4-7(5-2)6-3;4-3-5-1(2(8)9)6-7-3/h4-6H2,1-3H3;(H,8,9)(H,5,6,7)

Composition: C (36.87%), H (5.85%), Br (27.26%), N (19.11%), O (10.91%)

Molar Mass: 293.165

Atom Count: 33

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	292.053489
Formal Charge	0
FSP3	0.67
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	AFMLZLUWWXGMTB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.46
Topological Polar Surface Area	78.87
Polarizability	12.12
Ring Count	1
Rotatable Bond Count	4

Suppliers

ChemBridge Corp.

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<4 Days	C9H17BrN4O2		$125.35-$2,925.60$125.35$234.60$2,925.60