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Home > Aldehydes > 885521-76-6
885521-76-6 | 4-Bromo-1H-indazole-3-carbaldehyde
CAS No: 885521-76-6 Catalog No: AG004D71 MDL No:MFCD07781597
Product Description
Catalog Number:
AG004D71
Chemical Name:
4-Bromo-1H-indazole-3-carbaldehyde
CAS Number:
885521-76-6
Molecular Formula:
C8H5BrN2O
Molecular Weight:
225.0421
MDL Number:
MFCD07781597
IUPAC Name:
4-bromo-2H-indazole-3-carbaldehyde
InChI:
InChI=1S/C8H5BrN2O/c9-5-2-1-3-6-8(5)7(4-12)11-10-6/h1-4H,(H,10,11)
InChI Key:
DFPWFKJANMVAIA-UHFFFAOYSA-N
SMILES:
O=Cc1n[nH]c2c1c(Br)ccc2
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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