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100367-39-3 | Pyridine, 4-bromo-2-methoxy-
CAS No: 100367-39-3 Catalog No: AG0001QU MDL No:MFCD08277268
Product Description
Catalog Number:
AG0001QU
Chemical Name:
Pyridine, 4-bromo-2-methoxy-
CAS Number:
100367-39-3
Molecular Formula:
C6H6BrNO
Molecular Weight:
188.0219
MDL Number:
MFCD08277268
IUPAC Name:
4-bromo-2-methoxypyridine
InChI:
InChI=1S/C6H6BrNO/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3
InChI Key:
YFTGMMXMLPTTAY-UHFFFAOYSA-N
SMILES:
COc1cc(Br)ccn1
Properties
Complexity:
89.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.963g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.024g/mol
Monoisotopic Mass:
186.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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