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14305-17-0 | 2-Bromopyridine 1-oxide
CAS No: 14305-17-0 Catalog No: AG00336Z MDL No:MFCD05663705
Product Description
Catalog Number:
AG00336Z
Chemical Name:
2-Bromopyridine 1-oxide
CAS Number:
14305-17-0
Molecular Formula:
C5H4BrNO
Molecular Weight:
173.9954
MDL Number:
MFCD05663705
IUPAC Name:
2-bromo-1-oxidopyridin-1-ium
InChI:
InChI=1S/C5H4BrNO/c6-5-3-1-2-4-7(5)8/h1-4H
InChI Key:
NJCMNBWUKHLGIC-UHFFFAOYSA-N
SMILES:
Brc1cccc[n+]1[O-]
UNII:
NEJ3BM17KC
NSC Number:
174129
Properties
Complexity:
78.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.948g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.997g/mol
Monoisotopic Mass:
172.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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