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Home > Bromides > 1086376-33-1
1086376-33-1 | 5-(4-Bromo-3-methoxythien-2-yl)-1,3,4-oxadiazol-2(3H)-one
CAS No: 1086376-33-1 Catalog No: AG01F76E MDL No:
Product Description
Catalog Number:
AG01F76E
Chemical Name:
5-(4-Bromo-3-methoxythien-2-yl)-1,3,4-oxadiazol-2(3H)-one
CAS Number:
1086376-33-1
Molecular Formula:
C7H5BrN2O3S
Molecular Weight:
277.0952
IUPAC Name:
5-(4-bromo-3-methoxythiophen-2-yl)-3H-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C7H5BrN2O3S/c1-12-4-3(8)2-14-5(4)6-9-10-7(11)13-6/h2H,1H3,(H,10,11)
InChI Key:
DKOLLVKBWDBACP-UHFFFAOYSA-N
SMILES:
COc1c(Br)csc1c1n[nH]c(=O)o1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.92g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.092g/mol
Monoisotopic Mass:
275.92g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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