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1245649-81-3 | Isoxazole, 4-(5-broMo-2-thienyl)-3,5-diMethyl-
CAS No: 1245649-81-3 Catalog No: AG000MCY MDL No:
Product Description
Catalog Number:
AG000MCY
Chemical Name:
Isoxazole, 4-(5-broMo-2-thienyl)-3,5-diMethyl-
CAS Number:
1245649-81-3
Molecular Formula:
C9H8BrNOS
Molecular Weight:
258.1349
IUPAC Name:
4-(5-bromothiophen-2-yl)-3,5-dimethyl-1,2-oxazole
InChI:
InChI=1S/C9H8BrNOS/c1-5-9(6(2)12-11-5)7-3-4-8(10)13-7/h3-4H,1-2H3
InChI Key:
PGUZGGGEKUQCNQ-UHFFFAOYSA-N
SMILES:
Brc1ccc(s1)c1c(C)noc1C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.951g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.133g/mol
Monoisotopic Mass:
256.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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