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20011-18-1 | 2-CHLORO-4-(1-PIPERAZINYL)-BENZALDEHYDE
CAS No: 20011-18-1 Catalog No: AG01C8O6 MDL No:MFCD27946981
Product Description
Catalog Number:
AG01C8O6
Chemical Name:
2-CHLORO-4-(1-PIPERAZINYL)-BENZALDEHYDE
CAS Number:
20011-18-1
Molecular Formula:
C11H13ClN2O
Molecular Weight:
224.6867
MDL Number:
MFCD27946981
IUPAC Name:
2-chloro-4-piperazin-1-ylbenzaldehyde
InChI:
InChI=1S/C11H13ClN2O/c12-11-7-10(2-1-9(11)8-15)14-5-3-13-4-6-14/h1-2,7-8,13H,3-6H2
InChI Key:
ZGKIIMCNXBVFSH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1Cl)N1CCNCC1
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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