3-iodo-1H-indazole-6-carbaldehyde

3-iodo-1H-indazole-6-carbaldehyde

CAS: 944904-42-1

Formula: C8H5IN2O

SMILES: IC1=NNC2=CC(C=O)=CC=C12

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

InChI: InChI=1S/C8H5IN2O/c9-8-6-2-1-5(4-12)3-7(6)10-11-8/h1-4H,(H,10,11)

Composition: C (35.32%), H (1.85%), I (46.65%), N (10.30%), O (5.88%)

Molar Mass: 272.045

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	271.94466
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LNFYGHSDBUEHAM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.73
Topological Polar Surface Area	45.75
Polarizability	21.76
Ring Count	2
Rotatable Bond Count	1

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