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101774-26-9 | Isoxazole, 4-bromo-3-phenyl-
CAS No: 101774-26-9 Catalog No: AG0005GJ MDL No:MFCD27940886
Product Description
Catalog Number:
AG0005GJ
Chemical Name:
Isoxazole, 4-bromo-3-phenyl-
CAS Number:
101774-26-9
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
MDL Number:
MFCD27940886
IUPAC Name:
4-bromo-3-phenyl-1,2-oxazole
InChI:
InChI=1S/C9H6BrNO/c10-8-6-12-11-9(8)7-4-2-1-3-5-7/h1-6H
InChI Key:
VVBJGDDJJWVOGY-UHFFFAOYSA-N
SMILES:
Brc1conc1c1ccccc1
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.963g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.057g/mol
Monoisotopic Mass:
222.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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