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Home > Fluorides > 1820741-03-4

1820741-03-4

1820741-03-4 | 3-(4-Fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one hydrochloride

CAS No: 1820741-03-4 Catalog No: AG01FN2J MDL No:MFCD28388823

Product Description

Catalog Number:
AG01FN2J
Chemical Name:
3-(4-Fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one hydrochloride
CAS Number:
1820741-03-4
Molecular Formula:
C13H15ClFN3O
Molecular Weight:
283.7291
MDL Number:
MFCD28388823
IUPAC Name:
3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one;hydrochloride
InChI:
InChI=1S/C13H14FN3O.ClH/c14-10-3-1-9(2-4-10)11-12(18)17-13(16-11)5-7-15-8-6-13;/h1-4,15H,5-8H2,(H,17,18);1H
InChI Key:
FCXVUUIQHYISGC-UHFFFAOYSA-N
SMILES:
O=C1NC2(N=C1c1ccc(cc1)F)CCNCC2.Cl

Properties

Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.089g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
283.731g/mol
Monoisotopic Mass:
283.089g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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