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130513-75-6 | Ethanone, 1-(1-azabicyclo[2.2.1]hept-4-yl)-2-bromo-, hydrobromide (1:1)
CAS No: 130513-75-6 Catalog No: AG000UJU MDL No:
Product Description
Catalog Number:
AG000UJU
Chemical Name:
Ethanone, 1-(1-azabicyclo[2.2.1]hept-4-yl)-2-bromo-, hydrobromide (1:1)
CAS Number:
130513-75-6
Molecular Formula:
C8H13Br2NO
Molecular Weight:
299.0029
IUPAC Name:
1-(1-azabicyclo[2.2.1]heptan-4-yl)-2-bromoethanone;hydrobromide
InChI:
InChI=1S/C8H12BrNO.BrH/c9-5-7(11)8-1-3-10(6-8)4-2-8;/h1-6H2;1H
InChI Key:
VJHLQALIRKLJQL-UHFFFAOYSA-N
SMILES:
BrCC(=O)C12CCN(C2)CC1.Br
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.934g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.006g/mol
Monoisotopic Mass:
296.936g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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