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175205-66-0 | Isoxazole, 3-(5-bromo-2-thienyl)-
CAS No: 175205-66-0 Catalog No: AG0020OQ MDL No:
Product Description
Catalog Number:
AG0020OQ
Chemical Name:
Isoxazole, 3-(5-bromo-2-thienyl)-
CAS Number:
175205-66-0
Molecular Formula:
C7H4BrNOS
Molecular Weight:
230.0818
IUPAC Name:
3-(5-bromothiophen-2-yl)-1,2-oxazole
InChI:
InChI=1S/C7H4BrNOS/c8-7-2-1-6(11-7)5-3-4-10-9-5/h1-4H
InChI Key:
BAZHUUDTRPSRLD-UHFFFAOYSA-N
SMILES:
Brc1ccc(s1)c1nocc1
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.92g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.079g/mol
Monoisotopic Mass:
228.92g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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