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100388-15-6 | Benzoic acid, 5-bromo-2-hydroxy-, pentyl ester
CAS No: 100388-15-6 Catalog No: AG0001UY MDL No:
Product Description
Catalog Number:
AG0001UY
Chemical Name:
Benzoic acid, 5-bromo-2-hydroxy-, pentyl ester
CAS Number:
100388-15-6
Molecular Formula:
C12H15BrO3
Molecular Weight:
287.1497
IUPAC Name:
pentyl 5-bromo-2-hydroxybenzoate
InChI:
InChI=1S/C12H15BrO3/c1-2-3-4-7-16-12(15)10-8-9(13)5-6-11(10)14/h5-6,8,14H,2-4,7H2,1H3
InChI Key:
ICTVJEPRLSQFEE-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)c1cc(Br)ccc1O
Properties
Complexity:
220
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:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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