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tert-butyl 4-bromo-1H-indazole-5-carboxylate

tert-butyl 4-bromo-1H-indazole-5-carboxylate

CAS: 1203662-37-6

Formula: C12H13BrN2O2

SMILES: CC(C)(C)OC(=O)C1=CC=C2NN=CC2=C1Br

IUPAC: tert-butyl 4-bromo-1H-indazole-5-carboxylate

InChI: InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)7-4-5-9-8(10(7)13)6-14-15-9/h4-6H,1-3H3,(H,14,15)

Composition: C (48.50%), H (4.41%), Br (26.89%), N (9.43%), O (10.77%)

Molar Mass: 297.152

Atom Count: 30

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 296.016041
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey MCYAACAGIQVDMR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.53
Topological Polar Surface Area 54.98
Polarizability 27.35
Ring Count 2
Rotatable Bond Count 3

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