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18189-40-7 | Isoxazole, 3,4-dibromo-5-phenyl-
CAS No: 18189-40-7 Catalog No: AG00237S MDL No:
Product Description
Catalog Number:
AG00237S
Chemical Name:
Isoxazole, 3,4-dibromo-5-phenyl-
CAS Number:
18189-40-7
Molecular Formula:
C9H5Br2NO
Molecular Weight:
302.9501
IUPAC Name:
3,4-dibromo-5-phenyl-1,2-oxazole
InChI:
InChI=1S/C9H5Br2NO/c10-7-8(13-12-9(7)11)6-4-2-1-3-5-6/h1-5H
InChI Key:
WVTQMFMKUBGPCW-UHFFFAOYSA-N
SMILES:
Brc1noc(c1Br)c1ccccc1
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.872g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.953g/mol
Monoisotopic Mass:
300.874g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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