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90288-64-5 | Isoxazole, 5-bromo-4-chloro-3-methyl-
CAS No: 90288-64-5 Catalog No: AG006GNU MDL No:
Product Description
Catalog Number:
AG006GNU
Chemical Name:
Isoxazole, 5-bromo-4-chloro-3-methyl-
CAS Number:
90288-64-5
Molecular Formula:
C4H3BrClNO
Molecular Weight:
196.4297
IUPAC Name:
5-bromo-4-chloro-3-methyl-1,2-oxazole
InChI:
InChI=1S/C4H3BrClNO/c1-2-3(6)4(5)8-7-2/h1H3
InChI Key:
YHDVOWKXURBDDX-UHFFFAOYSA-N
SMILES:
Cc1noc(c1Cl)Br
Properties
Complexity:
92.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.909g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.428g/mol
Monoisotopic Mass:
194.909g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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