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Home > Aldehydes > 1021017-88-8
1021017-88-8 | 2-chloro-6-(4-methylpiperazin-1-yl)benzaldehyde
CAS No: 1021017-88-8 Catalog No: AG019UWS MDL No:MFCD11156350
Product Description
Catalog Number:
AG019UWS
Chemical Name:
2-chloro-6-(4-methylpiperazin-1-yl)benzaldehyde
CAS Number:
1021017-88-8
Molecular Formula:
C12H15ClN2O
Molecular Weight:
238.7133
MDL Number:
MFCD11156350
IUPAC Name:
2-chloro-6-(4-methylpiperazin-1-yl)benzaldehyde
InChI:
InChI=1S/C12H15ClN2O/c1-14-5-7-15(8-6-14)12-4-2-3-11(13)10(12)9-16/h2-4,9H,5-8H2,1H3
InChI Key:
BQHVREUDZHLVSI-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)cccc1N1CCN(CC1)C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.715g/mol
Monoisotopic Mass:
238.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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