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78156-39-5 | Pyridine,3-bromo-5-methoxy-, 1-oxide
CAS No: 78156-39-5 Catalog No: AG008NHL MDL No:MFCD00234175
Product Description
Catalog Number:
AG008NHL
Chemical Name:
Pyridine,3-bromo-5-methoxy-, 1-oxide
CAS Number:
78156-39-5
Molecular Formula:
C6H6BrNO2
Molecular Weight:
204.0213
MDL Number:
MFCD00234175
IUPAC Name:
3-bromo-5-methoxy-1-oxidopyridin-1-ium
InChI:
InChI=1S/C6H6BrNO2/c1-10-6-2-5(7)3-8(9)4-6/h2-4H,1H3
InChI Key:
KHOPHTRZCOJGRR-UHFFFAOYSA-N
SMILES:
COc1c[n+]([O-])cc(c1)Br
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.958g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.023g/mol
Monoisotopic Mass:
202.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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