methyl 5,6-difluoro-1H-indazole-3-carboxylate

methyl 5,6-difluoro-1H-indazole-3-carboxylate

CAS: 885279-01-6

Formula: C9H6F2N2O2

SMILES: COC(=O)C1=NNC2=CC(F)=C(F)C=C12

IUPAC: methyl 5,6-difluoro-1H-indazole-3-carboxylate

InChI: InChI=1S/C9H6F2N2O2/c1-15-9(14)8-4-2-5(10)6(11)3-7(4)12-13-8/h2-3H,1H3,(H,12,13)

Composition: C (50.95%), H (2.85%), F (17.91%), N (13.20%), O (15.08%)

Molar Mass: 212.156

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	212.039733767
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YRGUJTBYEOMZLU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.16
Topological Polar Surface Area	54.98
Polarizability	18.55
Ring Count	2
Rotatable Bond Count	2

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