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1133930-99-0 | Isoxazole, 5-bromo-
CAS No: 1133930-99-0 Catalog No: AG0008E7 MDL No:
Product Description
Catalog Number:
AG0008E7
Chemical Name:
Isoxazole, 5-bromo-
CAS Number:
1133930-99-0
Molecular Formula:
C3H2BrNO
Molecular Weight:
147.9581
IUPAC Name:
5-bromo-1,2-oxazole
InChI:
InChI=1S/C3H2BrNO/c4-3-1-2-5-6-3/h1-2H
InChI Key:
JWNFJNDECYNGRC-UHFFFAOYSA-N
SMILES:
Brc1ccno1
Properties
Complexity:
50.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.932g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.959g/mol
Monoisotopic Mass:
146.932g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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