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1287217-45-1 | 3-Bromo-1-(1,3-oxazol-2-yl)pyrrolidin-2-one
CAS No: 1287217-45-1 Catalog No: AG01FAWN MDL No:
Product Description
Catalog Number:
AG01FAWN
Chemical Name:
3-Bromo-1-(1,3-oxazol-2-yl)pyrrolidin-2-one
CAS Number:
1287217-45-1
Molecular Formula:
C7H7BrN2O2
Molecular Weight:
231.0467
IUPAC Name:
3-bromo-1-(1,3-oxazol-2-yl)pyrrolidin-2-one
InChI:
InChI=1S/C7H7BrN2O2/c8-5-1-3-10(6(5)11)7-9-2-4-12-7/h2,4-5H,1,3H2
InChI Key:
UMEKWGFIXKDCGJ-UHFFFAOYSA-N
SMILES:
O=C1C(Br)CCN1c1ncco1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.969g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.049g/mol
Monoisotopic Mass:
229.969g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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