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122451-00-7 | Oxazolo[4,5-b]pyridin-2(3H)-one, 6-bromo-3-methyl-
CAS No: 122451-00-7 Catalog No: AG00178M MDL No:
Product Description
Catalog Number:
AG00178M
Chemical Name:
Oxazolo[4,5-b]pyridin-2(3H)-one, 6-bromo-3-methyl-
CAS Number:
122451-00-7
Molecular Formula:
C7H5BrN2O2
Molecular Weight:
229.0308
IUPAC Name:
6-bromo-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one
InChI:
InChI=1S/C7H5BrN2O2/c1-10-6-5(12-7(10)11)2-4(8)3-9-6/h2-3H,1H3
InChI Key:
JTVBGMCAIFJNKL-UHFFFAOYSA-N
SMILES:
Cn1c2ncc(cc2oc1=O)Br
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.953g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.033g/mol
Monoisotopic Mass:
227.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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