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1696150-54-5 | 3-chloro-2-(piperazin-1-yl)benzaldehyde
CAS No: 1696150-54-5 Catalog No: AG01C8HJ MDL No:MFCD31443116
Product Description
Catalog Number:
AG01C8HJ
Chemical Name:
3-chloro-2-(piperazin-1-yl)benzaldehyde
CAS Number:
1696150-54-5
Molecular Formula:
C11H13ClN2O
Molecular Weight:
224.6867
MDL Number:
MFCD31443116
IUPAC Name:
3-chloro-2-piperazin-1-ylbenzaldehyde
InChI:
InChI=1S/C11H13ClN2O/c12-10-3-1-2-9(8-15)11(10)14-6-4-13-5-7-14/h1-3,8,13H,4-7H2
InChI Key:
CVQCFCVHLHGVPO-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1N1CCNCC1)Cl
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.688g/mol
Monoisotopic Mass:
224.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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