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161417-28-3 | 3-Pyridinol, 4-bromo-
CAS No: 161417-28-3 Catalog No: AG001SGD MDL No:MFCD03093021
Product Description
Catalog Number:
AG001SGD
Chemical Name:
3-Pyridinol, 4-bromo-
CAS Number:
161417-28-3
Molecular Formula:
C5H4BrNO
Molecular Weight:
173.9954
MDL Number:
MFCD03093021
IUPAC Name:
4-bromopyridin-3-ol
InChI:
InChI=1S/C5H4BrNO/c6-4-1-2-7-3-5(4)8/h1-3,8H
InChI Key:
YCVSFCXUHPVAFH-UHFFFAOYSA-N
SMILES:
Oc1cnccc1Br
Properties
Complexity:
78.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.948g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.997g/mol
Monoisotopic Mass:
172.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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