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51420-30-5 | 2-Chloro-4-(4-methylpiperazino)benzaldehyde
CAS No: 51420-30-5 Catalog No: AG006W7R MDL No:MFCD22375094
Product Description
Catalog Number:
AG006W7R
Chemical Name:
2-Chloro-4-(4-methylpiperazino)benzaldehyde
CAS Number:
51420-30-5
Molecular Formula:
C12H15ClN2O
Molecular Weight:
238.7133
MDL Number:
MFCD22375094
IUPAC Name:
2-chloro-4-(4-methylpiperazin-1-yl)benzaldehyde
InChI:
InChI=1S/C12H15ClN2O/c1-14-4-6-15(7-5-14)11-3-2-10(9-16)12(13)8-11/h2-3,8-9H,4-7H2,1H3
InChI Key:
JHKAOEWIJKITLH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1Cl)N1CCN(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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