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Home > Aldehydes > 1168721-41-2
1168721-41-2 | 1H-Indazole-6-carboxaldehyde, 4-bromo-
CAS No: 1168721-41-2 Catalog No: AG000DBV MDL No:
Product Description
Catalog Number:
AG000DBV
Chemical Name:
1H-Indazole-6-carboxaldehyde, 4-bromo-
CAS Number:
1168721-41-2
Molecular Formula:
C8H5BrN2O
Molecular Weight:
225.0421
IUPAC Name:
4-bromo-1H-indazole-6-carbaldehyde
InChI:
InChI=1S/C8H5BrN2O/c9-7-1-5(4-12)2-8-6(7)3-10-11-8/h1-4H,(H,10,11)
InChI Key:
QSCOHIBTEKOLEX-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)c2c(c1)[nH]nc2
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:
1.7
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