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25933-36-2 | 1(3H)-Isobenzofuranone, 3-(4-bromophenyl)-
CAS No: 25933-36-2 Catalog No: AG002R3S MDL No:
Product Description
Catalog Number:
AG002R3S
Chemical Name:
1(3H)-Isobenzofuranone, 3-(4-bromophenyl)-
CAS Number:
25933-36-2
Molecular Formula:
C14H9BrO2
Molecular Weight:
289.1241
IUPAC Name:
3-(4-bromophenyl)-3H-2-benzofuran-1-one
InChI:
InChI=1S/C14H9BrO2/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(16)17-13/h1-8,13H
InChI Key:
NOBDTJIRKOOPJW-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C1OC(=O)c2c1cccc2
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.979g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.128g/mol
Monoisotopic Mass:
287.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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