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Home > Aldehydes > 201227-38-5
201227-38-5 | 1H-Indazole-3-carboxaldehyde, 5-bromo-
CAS No: 201227-38-5 Catalog No: AG002DA8 MDL No:MFCD06738287
Product Description
Catalog Number:
AG002DA8
Chemical Name:
1H-Indazole-3-carboxaldehyde, 5-bromo-
CAS Number:
201227-38-5
Molecular Formula:
C8H5BrN2O
Molecular Weight:
225.0421
MDL Number:
MFCD06738287
IUPAC Name:
5-bromo-2H-indazole-3-carbaldehyde
InChI:
InChI=1S/C8H5BrN2O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-4H,(H,10,11)
InChI Key:
ILGTYHMEQSSHFG-UHFFFAOYSA-N
SMILES:
Brc1cc2c(C=O)n[nH]c2cc1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.959g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.045g/mol
Monoisotopic Mass:
223.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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