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1227570-80-0 | 3-Pyridinol, 4-bromo-2-methyl-
CAS No: 1227570-80-0 Catalog No: AG000JBB MDL No:MFCD16610031
Product Description
Catalog Number:
AG000JBB
Chemical Name:
3-Pyridinol, 4-bromo-2-methyl-
CAS Number:
1227570-80-0
Molecular Formula:
C6H6BrNO
Molecular Weight:
188.0219
MDL Number:
MFCD16610031
IUPAC Name:
4-bromo-2-methylpyridin-3-ol
InChI:
InChI=1S/C6H6BrNO/c1-4-6(9)5(7)2-3-8-4/h2-3,9H,1H3
InChI Key:
JBGRGPFJPIZXIJ-UHFFFAOYSA-N
SMILES:
Brc1ccnc(c1O)C
Properties
Complexity:
99.1
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:
1
Isotope Atom Count:
0
Molecular Weight:
188.024g/mol
Monoisotopic Mass:
186.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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