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83629-88-3 | 2,3-Furandione, 4-bromo-5-(4-methylphenyl)-
CAS No: 83629-88-3 Catalog No: AG0056VO MDL No:
Product Description
Catalog Number:
AG0056VO
Chemical Name:
2,3-Furandione, 4-bromo-5-(4-methylphenyl)-
CAS Number:
83629-88-3
Molecular Formula:
C11H7BrO3
Molecular Weight:
267.0755
IUPAC Name:
4-bromo-5-(4-methylphenyl)furan-2,3-dione
InChI:
InChI=1S/C11H7BrO3/c1-6-2-4-7(5-3-6)10-8(12)9(13)11(14)15-10/h2-5H,1H3
InChI Key:
JFAORITYKDSWRA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1=C(Br)C(=O)C(=O)O1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.958g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.078g/mol
Monoisotopic Mass:
265.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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