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124498-15-3 | Isoxazole, 3-bromo-5-(chloromethyl)-
CAS No: 124498-15-3 Catalog No: AG000M47 MDL No:MFCD06660137
Product Description
Catalog Number:
AG000M47
Chemical Name:
Isoxazole, 3-bromo-5-(chloromethyl)-
CAS Number:
124498-15-3
Molecular Formula:
C4H3BrClNO
Molecular Weight:
196.4297
MDL Number:
MFCD06660137
IUPAC Name:
3-bromo-5-(chloromethyl)-1,2-oxazole
InChI:
InChI=1S/C4H3BrClNO/c5-4-1-3(2-6)8-7-4/h1H,2H2
InChI Key:
GQKKVODIBXQDQL-UHFFFAOYSA-N
SMILES:
ClCc1cc(no1)Br
Properties
Complexity:
82.4
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:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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