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Home > Aldehydes > 138969-82-1
138969-82-1 | 1-Piperazinecarboxaldehyde, 4-(2-chloroacetyl)-
CAS No: 138969-82-1 Catalog No: AG0019XX MDL No:MFCD03964674
Product Description
Catalog Number:
AG0019XX
Chemical Name:
1-Piperazinecarboxaldehyde, 4-(2-chloroacetyl)-
CAS Number:
138969-82-1
Molecular Formula:
C7H11ClN2O2
Molecular Weight:
190.6274
MDL Number:
MFCD03964674
IUPAC Name:
4-(2-chloroacetyl)piperazine-1-carbaldehyde
InChI:
InChI=1S/C7H11ClN2O2/c8-5-7(12)10-3-1-9(6-11)2-4-10/h6H,1-5H2
InChI Key:
JNUUHIJMBNNNIV-UHFFFAOYSA-N
SMILES:
ClCC(=O)N1CCN(CC1)C=O
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.627g/mol
Monoisotopic Mass:
190.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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