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Home > Bromides > 1311197-85-9
1311197-85-9 | Benzoic acid, 2,2'-oxybis[5-bromo-
CAS No: 1311197-85-9 Catalog No: AG000VJY MDL No:MFCD19237201
Product Description
Catalog Number:
AG000VJY
Chemical Name:
Benzoic acid, 2,2'-oxybis[5-bromo-
CAS Number:
1311197-85-9
Molecular Formula:
C14H8Br2O5
Molecular Weight:
416.0183
MDL Number:
MFCD19237201
IUPAC Name:
5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
InChI:
InChI=1S/C14H8Br2O5/c15-7-1-3-11(9(5-7)13(17)18)21-12-4-2-8(16)6-10(12)14(19)20/h1-6H,(H,17,18)(H,19,20)
InChI Key:
MVAAOKRMPXRIJL-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C(=O)O)Oc1ccc(cc1C(=O)O)Br
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.872g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
416.021g/mol
Monoisotopic Mass:
413.874g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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