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100954-50-5 | Benzophenone, 4'-bromo-2-hydroxy-, acetate (6CI)
CAS No: 100954-50-5 Catalog No: AG0003AX MDL No:
Product Description
Catalog Number:
AG0003AX
Chemical Name:
Benzophenone, 4'-bromo-2-hydroxy-, acetate (6CI)
CAS Number:
100954-50-5
Molecular Formula:
C15H13BrO4
Molecular Weight:
337.1653
IUPAC Name:
[2-(4-bromobenzoyl)phenyl] acetate
InChI:
InChI=1S/C15H11BrO3/c1-10(17)19-14-5-3-2-4-13(14)15(18)11-6-8-12(16)9-7-11/h2-9H,1H3
InChI Key:
XJAWYUDNVDPZJF-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)c1ccccc1O.CC(=O)O
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.989g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.154g/mol
Monoisotopic Mass:
317.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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