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127561-71-1 | Pyridine, 2-bromo-5-chloro-3-methoxy-
CAS No: 127561-71-1 Catalog No: AG000X6B MDL No:
Product Description
Catalog Number:
AG000X6B
Chemical Name:
Pyridine, 2-bromo-5-chloro-3-methoxy-
CAS Number:
127561-71-1
Molecular Formula:
C6H5BrClNO
Molecular Weight:
222.4670
IUPAC Name:
2-bromo-5-chloro-3-methoxypyridine
InChI:
InChI=1S/C6H5BrClNO/c1-10-5-2-4(8)3-9-6(5)7/h2-3H,1H3
InChI Key:
WEQNSONLVQEQGQ-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)cnc1Br
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.924g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.466g/mol
Monoisotopic Mass:
220.924g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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