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161889-88-9 | Benzoic acid, 2-bromo-, 2-bromophenyl ester
CAS No: 161889-88-9 Catalog No: AG001VYU MDL No:MFCD00435743
Product Description
Catalog Number:
AG001VYU
Chemical Name:
Benzoic acid, 2-bromo-, 2-bromophenyl ester
CAS Number:
161889-88-9
Molecular Formula:
C13H8Br2O2
Molecular Weight:
356.0094
MDL Number:
MFCD00435743
IUPAC Name:
(2-bromophenyl) 2-bromobenzoate
InChI:
InChI=1S/C13H8Br2O2/c14-10-6-2-1-5-9(10)13(16)17-12-8-4-3-7-11(12)15/h1-8H
InChI Key:
CCPCQNFDILREJB-UHFFFAOYSA-N
SMILES:
Brc1ccccc1OC(=O)c1ccccc1Br
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.887g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.013g/mol
Monoisotopic Mass:
353.889g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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