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126325-34-6 | Ethanone, 2-bromo-1-(5-bromo-3-pyridinyl)-, hydrobromide (1:1)
CAS No: 126325-34-6 Catalog No: AG000SKL MDL No:
Product Description
Catalog Number:
AG000SKL
Chemical Name:
Ethanone, 2-bromo-1-(5-bromo-3-pyridinyl)-, hydrobromide (1:1)
CAS Number:
126325-34-6
Molecular Formula:
C7H6Br3NO
Molecular Weight:
359.8406
IUPAC Name:
2-bromo-1-(5-bromopyridin-3-yl)ethanone;hydrobromide
InChI:
InChI=1S/C7H5Br2NO.BrH/c8-2-7(11)5-1-6(9)4-10-3-5;/h1,3-4H,2H2;1H
InChI Key:
GVAIFVQPZYQAMS-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cncc(c1)Br.Br
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.798g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.843g/mol
Monoisotopic Mass:
356.8g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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