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Home > Aldehydes > 885271-72-7
885271-72-7 | 6-Bromo-1H-indazole-3-carbaldehyde
CAS No: 885271-72-7 Catalog No: AG00484F MDL No:MFCD06738286
Product Description
Catalog Number:
AG00484F
Chemical Name:
6-Bromo-1H-indazole-3-carbaldehyde
CAS Number:
885271-72-7
Molecular Formula:
C8H5BrN2O
Molecular Weight:
225.0421
MDL Number:
MFCD06738286
IUPAC Name:
6-bromo-2H-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)
InChI Key:
RQQKGUPOPZJRLE-UHFFFAOYSA-N
SMILES:
O=Cc1n[nH]c2c1ccc(c2)Br
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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