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60783-95-1 | 5-Bromo-2-(isopentyloxy)benzoic acid
CAS No: 60783-95-1 Catalog No: AG01FOB1 MDL No:
Product Description
Catalog Number:
AG01FOB1
Chemical Name:
5-Bromo-2-(isopentyloxy)benzoic acid
CAS Number:
60783-95-1
IUPAC Name:
5-bromo-2-(3-methylbutoxy)benzoic acid
InChI:
InChI=1S/C12H15BrO3/c1-8(2)5-6-16-11-4-3-9(13)7-10(11)12(14)15/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChI Key:
ODXUQTPGYAHSLS-UHFFFAOYSA-N
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.153g/mol
Monoisotopic Mass:
286.02g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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