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36953-40-9 | 2-Bromo-4-hydroxypyridine
CAS No: 36953-40-9 Catalog No: AG0037IY MDL No:MFCD00234040
Product Description
Catalog Number:
AG0037IY
Chemical Name:
2-Bromo-4-hydroxypyridine
CAS Number:
36953-40-9
Molecular Formula:
C5H4BrNO
Molecular Weight:
173.9954
MDL Number:
MFCD00234040
IUPAC Name:
2-bromo-1H-pyridin-4-one
InChI:
InChI=1S/C5H4BrNO/c6-5-3-4(8)1-2-7-5/h1-3H,(H,7,8)
InChI Key:
GGXSDQDNOMWAFV-UHFFFAOYSA-N
SMILES:
Oc1ccnc(c1)Br
Properties
Complexity:
171
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:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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