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887029-41-6 | 5-Bromo-2-(phenethyloxy)benzoic acid
CAS No: 887029-41-6 Catalog No: AG01FOB4 MDL No:
Product Description
Catalog Number:
AG01FOB4
Chemical Name:
5-Bromo-2-(phenethyloxy)benzoic acid
CAS Number:
887029-41-6
IUPAC Name:
5-bromo-2-(2-phenylethoxy)benzoic acid
InChI:
InChI=1S/C15H13BrO3/c16-12-6-7-14(13(10-12)15(17)18)19-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,18)
InChI Key:
QKYUPLPJCKWDTB-UHFFFAOYSA-N
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.005g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.17g/mol
Monoisotopic Mass:
320.005g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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