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methyl 3-(trifluoromethyl)-1H-indazole-5-carboxylate

methyl 3-(trifluoromethyl)-1H-indazole-5-carboxylate

CAS: 1821028-83-4

Formula: C10H7F3N2O2

SMILES: COC(=O)C1=CC=C2NN=C(C2=C1)C(F)(F)F

IUPAC: methyl 3-(trifluoromethyl)-1H-indazole-5-carboxylate

InChI: InChI=1S/C10H7F3N2O2/c1-17-9(16)5-2-3-7-6(4-5)8(15-14-7)10(11,12)13/h2-4H,1H3,(H,14,15)

Composition: C (49.19%), H (2.89%), F (23.34%), N (11.47%), O (13.10%)

Molar Mass: 244.173

Atom Count: 24

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 244.045961962
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HZSDDKGFPWPFBH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.7
Topological Polar Surface Area 54.98
Polarizability 20.26
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1821028-83-4 $966.00-$5,612.00$966.00$1,587.00$5,612.00
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