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137778-12-2 | 3-Pyridinol, 5-bromo-2,6-dimethyl-
CAS No: 137778-12-2 Catalog No: AG0013TX MDL No:
Product Description
Catalog Number:
AG0013TX
Chemical Name:
3-Pyridinol, 5-bromo-2,6-dimethyl-
CAS Number:
137778-12-2
Molecular Formula:
C7H8BrNO
Molecular Weight:
202.0485
IUPAC Name:
5-bromo-2,6-dimethylpyridin-3-ol
InChI:
InChI=1S/C7H8BrNO/c1-4-6(8)3-7(10)5(2)9-4/h3,10H,1-2H3
InChI Key:
GQBILYGKQVJSDH-UHFFFAOYSA-N
SMILES:
Oc1cc(Br)c(nc1C)C
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.979g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.051g/mol
Monoisotopic Mass:
200.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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