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Home > Aldehydes > 1214997-78-0
1214997-78-0 | 1H-Pyrazole-3-carboxaldehyde, 4-iodo-1-methyl-
CAS No: 1214997-78-0 Catalog No: AG00152G MDL No:MFCD19704865
Product Description
Catalog Number:
AG00152G
Chemical Name:
1H-Pyrazole-3-carboxaldehyde, 4-iodo-1-methyl-
CAS Number:
1214997-78-0
Molecular Formula:
C5H5IN2O
Molecular Weight:
236.0105
MDL Number:
MFCD19704865
IUPAC Name:
4-iodo-1-methylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C5H5IN2O/c1-8-2-4(6)5(3-9)7-8/h2-3H,1H3
InChI Key:
SDWBNGXXAAJVJM-UHFFFAOYSA-N
SMILES:
O=Cc1nn(cc1I)C
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.945g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.012g/mol
Monoisotopic Mass:
235.945g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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