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21594-52-5 | 6-Bromo-3H-oxazolo[4,5-b]pyridin-2-one
CAS No: 21594-52-5 Catalog No: AG003N4Y MDL No:MFCD08689590
Product Description
Catalog Number:
AG003N4Y
Chemical Name:
6-Bromo-3H-oxazolo[4,5-b]pyridin-2-one
CAS Number:
21594-52-5
Molecular Formula:
C6H3BrN2O2
Molecular Weight:
215.0042
MDL Number:
MFCD08689590
IUPAC Name:
6-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
InChI:
InChI=1S/C6H3BrN2O2/c7-3-1-4-5(8-2-3)9-6(10)11-4/h1-2H,(H,8,9,10)
InChI Key:
VQPBRWIFFBIRRP-UHFFFAOYSA-N
SMILES:
Brc1cc2oc(=O)[nH]c2nc1
EC Number:
676-057-6
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.938g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.006g/mol
Monoisotopic Mass:
213.938g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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