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Home > Bromides > 1086376-35-3
1086376-35-3 | [5-(5-Bromo-2-furyl)-2-oxo-1,3,4-oxadiazol-3(2H)-yl]acetic acid
CAS No: 1086376-35-3 Catalog No: AG01F5XP MDL No:
Product Description
Catalog Number:
AG01F5XP
Chemical Name:
[5-(5-Bromo-2-furyl)-2-oxo-1,3,4-oxadiazol-3(2H)-yl]acetic acid
CAS Number:
1086376-35-3
Molecular Formula:
C8H5BrN2O5
Molecular Weight:
289.0397
IUPAC Name:
2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetic acid
InChI:
InChI=1S/C8H5BrN2O5/c9-5-2-1-4(15-5)7-10-11(3-6(12)13)8(14)16-7/h1-2H,3H2,(H,12,13)
InChI Key:
HZFLUPWVUHTEMH-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1nc(oc1=O)c1ccc(o1)Br
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.938g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.041g/mol
Monoisotopic Mass:
287.938g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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