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294177-35-8 | 2,5-Diazabicyclo[2.2.1]heptane, 2-(3-fluorophenyl)-, hydrobromide (1:1), (1S,4S)-
CAS No: 294177-35-8 Catalog No: AG002YA4 MDL No:
Product Description
Catalog Number:
AG002YA4
Chemical Name:
2,5-Diazabicyclo[2.2.1]heptane, 2-(3-fluorophenyl)-, hydrobromide (1:1), (1S,4S)-
CAS Number:
294177-35-8
Molecular Formula:
C11H14BrFN2
Molecular Weight:
273.1447
IUPAC Name:
(1S,4S)-2-(3-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptane;hydrobromide
InChI:
InChI=1S/C11H13FN2.BrH/c12-8-2-1-3-10(4-8)14-7-9-5-11(14)6-13-9;/h1-4,9,11,13H,5-7H2;1H/t9-,11-;/m0./s1
InChI Key:
JVXIFPJAONRBON-ROLPUNSJSA-N
SMILES:
Fc1cccc(c1)N1C[C@@H]2C[C@H]1CN2.Br
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
272.032g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.149g/mol
Monoisotopic Mass:
272.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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