3-iodo-6-methoxy-1H-indazole

3-iodo-6-methoxy-1H-indazole

CAS: 936138-17-9

Formula: C8H7IN2O

SMILES: COC1=CC=C2C(I)=NNC2=C1

IUPAC: 3-iodo-6-methoxy-1H-indazole

InChI: InChI=1S/C8H7IN2O/c1-12-5-2-3-6-7(4-5)10-11-8(6)9/h2-4H,1H3,(H,10,11)

Composition: C (35.06%), H (2.57%), I (46.31%), N (10.22%), O (5.84%)

Molar Mass: 274.061

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	273.96031
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OHXDNTHWTHMKRG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.61
Topological Polar Surface Area	37.91
Polarizability	22.36
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	936138-17-9		$28.98-$805.23$28.98$42.44$113.85$448.16$805.23