Home Other Building Blocks 4-[3-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine hydrochloride

4-[3-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine hydrochloride

CAS No.:
1427380-86-6
Catalog Number:
AG01A49U
Molecular Formula:
C12H13ClF3NO
Molecular Weight:
279.6859
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Product Description
Catalog Number:
AG01A49U
Chemical Name:
4-[3-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine hydrochloride
CAS Number:
1427380-86-6
Molecular Formula:
C12H13ClF3NO
Molecular Weight:
279.6859
MDL Number:
MFCD23144295
IUPAC Name:
4-[3-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride
InChI:
InChI=1S/C12H12F3NO.ClH/c13-12(14,15)17-11-3-1-2-10(8-11)9-4-6-16-7-5-9;/h1-4,8,16H,5-7H2;1H
InChI Key:
KXOUNTYXLRIGCY-UHFFFAOYSA-N
SMILES:
FC(Oc1cccc(c1)C1=CCNCC1)(F)F.Cl
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.064g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
279.687g/mol
Monoisotopic Mass:
279.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties