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6-bromo-1H-indazole-3-carbaldehyde

6-bromo-1H-indazole-3-carbaldehyde

CAS: 885271-72-7

Formula: C8H5BrN2O

SMILES: BrC1=CC=C2C(NN=C2C=O)=C1

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

InChI: InChI=1S/C8H5BrN2O/c9-5-1-2-6-7(3-5)10-11-8(6)4-12/h1-4H,(H,10,11)

Composition: C (42.70%), H (2.24%), Br (35.51%), N (12.45%), O (7.11%)

Molar Mass: 225.045

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 223.958526
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RQQKGUPOPZJRLE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.89
Topological Polar Surface Area 45.75
Polarizability 19.33
Ring Count 2
Rotatable Bond Count 1

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