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944886-14-0 | 4-[4-(2-Chloroacetyl)-1-piperazinyl]benzoic Acid
CAS No: 944886-14-0 Catalog No: AG01FLL4 MDL No:
Product Description
Catalog Number:
AG01FLL4
Chemical Name:
4-[4-(2-Chloroacetyl)-1-piperazinyl]benzoic Acid
CAS Number:
944886-14-0
IUPAC Name:
4-[4-(2-chloroacetyl)piperazin-1-yl]benzoic acid
InChI:
InChI=1S/C13H15ClN2O3/c14-9-12(17)16-7-5-15(6-8-16)11-3-1-10(2-4-11)13(18)19/h1-4H,5-9H2,(H,18,19)
InChI Key:
GZQCHSUFQCLQRD-UHFFFAOYSA-N
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.724g/mol
Monoisotopic Mass:
282.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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