3-iodo-1H-indazole-4-carboxylic acid

3-iodo-1H-indazole-4-carboxylic acid

CAS: 885520-80-9

Formula: C8H5IN2O2

SMILES: OC(=O)C1=C2C(I)=NNC2=CC=C1

IUPAC: 3-iodo-1H-indazole-4-carboxylic acid

InChI: InChI=1S/C8H5IN2O2/c9-7-6-4(8(12)13)2-1-3-5(6)10-11-7/h1-3H,(H,10,11)(H,12,13)

Composition: C (33.36%), H (1.75%), I (44.06%), N (9.73%), O (11.11%)

Molar Mass: 288.044

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	287.93957
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	POTWVYVTMBLLKR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.4
Topological Polar Surface Area	65.98
Polarizability	22.3
Ring Count	2
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	CAS		UnitPrice
98%	<10 Days	885520-80-9		Quote Only

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	885520-80-9		$226.15-$467.59$226.15$226.15$467.59$467.59