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1227954-72-4 | 3-{4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]homopiperazin-1-yl}propanoic acid
CAS No: 1227954-72-4 Catalog No: AG01FGJD MDL No:
Product Description
Catalog Number:
AG01FGJD
Chemical Name:
3-{4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]homopiperazin-1-yl}propanoic acid
CAS Number:
1227954-72-4
IUPAC Name:
3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]propanoic acid
InChI:
InChI=1S/C14H17ClF3N3O2/c15-11-8-10(14(16,17)18)9-19-13(11)21-4-1-3-20(6-7-21)5-2-12(22)23/h8-9H,1-7H2,(H,22,23)
InChI Key:
QFXOLRGPLPIHJC-UHFFFAOYSA-N
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.096g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.754g/mol
Monoisotopic Mass:
351.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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