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849060-64-6 | Morpholinium,2-(4-fluorophenyl)-2-hydroxy-4,4-dimethyl-, bromide (1:1)
CAS No: 849060-64-6 Catalog No: AG004M03 MDL No:
Product Description
Catalog Number:
AG004M03
Chemical Name:
Morpholinium,2-(4-fluorophenyl)-2-hydroxy-4,4-dimethyl-, bromide (1:1)
CAS Number:
849060-64-6
Molecular Formula:
C12H17BrFNO2
Molecular Weight:
306.1713
IUPAC Name:
2-(4-fluorophenyl)-4,4-dimethylmorpholin-4-ium-2-ol;bromide
InChI:
InChI=1S/C12H17FNO2.BrH/c1-14(2)7-8-16-12(15,9-14)10-3-5-11(13)6-4-10;/h3-6,15H,7-9H2,1-2H3;1H/q+1;/p-1
InChI Key:
WSHAAWFOAAKRNQ-UHFFFAOYSA-M
SMILES:
OC1(OCC[N+](C1)(C)C)c1ccc(cc1)F.[Br-]
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.043g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.175g/mol
Monoisotopic Mass:
305.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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