4-bromo-3-methoxy-1H-indazole

4-bromo-3-methoxy-1H-indazole

CAS: 938061-94-0

Formula: C8H7BrN2O

SMILES: COC1=NNC2=CC=CC(Br)=C12

IUPAC: 4-bromo-3-methoxy-1H-indazole

InChI: InChI=1S/C8H7BrN2O/c1-12-8-7-5(9)3-2-4-6(7)10-11-8/h2-4H,1H3,(H,10,11)

Composition: C (42.32%), H (3.11%), Br (35.19%), N (12.34%), O (7.05%)

Molar Mass: 227.061

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	225.974176
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	DIGXMSCAORNNLD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.47
Topological Polar Surface Area	37.91
Polarizability	19.93
Ring Count	2
Rotatable Bond Count	1

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