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Home > Aldehydes > 175204-81-6
175204-81-6 | 1H-Pyrazole-3-carboxaldehyde, 4-chloro-1-methyl-
CAS No: 175204-81-6 Catalog No: AG0020MP MDL No:MFCD00103234
Product Description
Catalog Number:
AG0020MP
Chemical Name:
1H-Pyrazole-3-carboxaldehyde, 4-chloro-1-methyl-
CAS Number:
175204-81-6
Molecular Formula:
C5H5ClN2O
Molecular Weight:
144.5590
MDL Number:
MFCD00103234
IUPAC Name:
4-chloro-1-methylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C5H5ClN2O/c1-8-2-4(6)5(3-9)7-8/h2-3H,1H3
InChI Key:
MLGDASSMRFJUMZ-UHFFFAOYSA-N
SMILES:
O=Cc1nn(cc1Cl)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:
144.009g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.558g/mol
Monoisotopic Mass:
144.009g/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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