1H-Indazole-3-carboxaldehyde, 5-bromo-


Chemical Name: 1H-Indazole-3-carboxaldehyde, 5-bromo-
CAS Number: 201227-38-5
Product Number: AG002DA8(AGN-PC-0O73DM)
Synonyms:
MDL No: MFCD06738287
Molecular Formula: C8H5BrN2O
Molecular Weight: 225.0421

Identification/Properties


Computed Properties
Molecular Weight:
225.045g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
223.959g/mol
Monoisotopic Mass:
223.959g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
188
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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