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874802-36-5 | 3-{4-[4-(Trifluoromethyl)pyrimidin-2-yl]homopiperazin-1-yl}propanoic acid
CAS No: 874802-36-5 Catalog No: AG01FGJ5 MDL No:
Product Description
Catalog Number:
AG01FGJ5
Chemical Name:
3-{4-[4-(Trifluoromethyl)pyrimidin-2-yl]homopiperazin-1-yl}propanoic acid
CAS Number:
874802-36-5
IUPAC Name:
3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]propanoic acid
InChI:
InChI=1S/C13H17F3N4O2/c14-13(15,16)10-2-4-17-12(18-10)20-6-1-5-19(8-9-20)7-3-11(21)22/h2,4H,1,3,5-9H2,(H,21,22)
InChI Key:
XWSHYQQHJHLYCP-UHFFFAOYSA-N
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.13g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.3g/mol
Monoisotopic Mass:
318.13g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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