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Home > Aldehydes > 902837-61-0
902837-61-0 | 4-CHLORO-1-METHYLPYRAZOLE-5-CARBOXALDEHYDE
CAS No: 902837-61-0 Catalog No: AG006TBA MDL No:MFCD00460467
Product Description
Catalog Number:
AG006TBA
Chemical Name:
4-CHLORO-1-METHYLPYRAZOLE-5-CARBOXALDEHYDE
CAS Number:
902837-61-0
Molecular Formula:
C5H5ClN2O
Molecular Weight:
144.5590
MDL Number:
MFCD00460467
IUPAC Name:
4-chloro-2-methylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C5H5ClN2O/c1-8-5(3-9)4(6)2-7-8/h2-3H,1H3
InChI Key:
JGARVIIOTXNVGP-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1C=O)Cl
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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