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Home > Aldehydes > 120842-54-8
120842-54-8 | 1H-Pyrazole-4-carboxaldehyde, 1-(2-chloroethyl)-3-methyl-
CAS No: 120842-54-8 Catalog No: AG007PDJ MDL No:MFCD02766898
Product Description
Catalog Number:
AG007PDJ
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 1-(2-chloroethyl)-3-methyl-
CAS Number:
120842-54-8
Molecular Formula:
C7H9ClN2O
Molecular Weight:
172.6122
MDL Number:
MFCD02766898
IUPAC Name:
1-(2-chloroethyl)-3-methylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C7H9ClN2O/c1-6-7(5-11)4-10(9-6)3-2-8/h4-5H,2-3H2,1H3
InChI Key:
LIJDHFFQPSUECG-UHFFFAOYSA-N
SMILES:
ClCCn1cc(c(n1)C)C=O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.612g/mol
Monoisotopic Mass:
172.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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