Home Aldehydes 3-Iodo-1H-indazole-6-carbaldehyde

3-Iodo-1H-indazole-6-carbaldehyde

CAS No.:
944904-42-1
Catalog Number:
AG00II9T
Molecular Formula:
C8H5IN2O
Molecular Weight:
272.0426
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Product Description
Catalog Number:
AG00II9T
Chemical Name:
3-Iodo-1H-indazole-6-carbaldehyde
CAS Number:
944904-42-1
Molecular Formula:
C8H5IN2O
Molecular Weight:
272.0426
MDL Number:
MFCD10696810
IUPAC Name:
3-iodo-2H-indazole-6-carbaldehyde
InChI:
InChI=1S/C8H5IN2O/c9-8-6-2-1-5(4-12)3-7(6)10-11-8/h1-4H,(H,10,11)
InChI Key:
LNFYGHSDBUEHAM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)[nH]nc2I
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.945g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
272.045g/mol
Monoisotopic Mass:
271.945g/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  
Properties