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1227955-01-2 | 3-{4-[3-(Trifluoromethyl)pyridin-2-yl]homopiperazin-1-yl}propanoic acid
CAS No: 1227955-01-2 Catalog No: AG01FGJC MDL No:
Product Description
Catalog Number:
AG01FGJC
Chemical Name:
3-{4-[3-(Trifluoromethyl)pyridin-2-yl]homopiperazin-1-yl}propanoic acid
CAS Number:
1227955-01-2
IUPAC Name:
3-[4-[3-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]propanoic acid
InChI:
InChI=1S/C14H18F3N3O2/c15-14(16,17)11-3-1-5-18-13(11)20-7-2-6-19(9-10-20)8-4-12(21)22/h1,3,5H,2,4,6-10H2,(H,21,22)
InChI Key:
JOXCNAROLLBRTQ-UHFFFAOYSA-N
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.135g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.312g/mol
Monoisotopic Mass:
317.135g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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