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182181-36-8 | Benzonitrile, 5-chloro-2-(1-piperazinyl)-
CAS No: 182181-36-8 Catalog No: AG0023GS MDL No:MFCD16769522
Product Description
Catalog Number:
AG0023GS
Chemical Name:
Benzonitrile, 5-chloro-2-(1-piperazinyl)-
CAS Number:
182181-36-8
Molecular Formula:
C11H12ClN3
Molecular Weight:
221.6861
MDL Number:
MFCD16769522
IUPAC Name:
5-chloro-2-piperazin-1-ylbenzonitrile
InChI:
InChI=1S/C11H12ClN3/c12-10-1-2-11(9(7-10)8-13)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2
InChI Key:
IVPNTGSEDGDHOZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)ccc1N1CCNCC1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.688g/mol
Monoisotopic Mass:
221.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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