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189136-75-2 | Benzoic acid, 4-hydroxy-, 3-bromopropyl ester
CAS No: 189136-75-2 Catalog No: AG002HXB MDL No:
Product Description
Catalog Number:
AG002HXB
Chemical Name:
Benzoic acid, 4-hydroxy-, 3-bromopropyl ester
CAS Number:
189136-75-2
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
IUPAC Name:
3-bromopropyl 4-hydroxybenzoate
InChI:
InChI=1S/C10H11BrO3/c11-6-1-7-14-10(13)8-2-4-9(12)5-3-8/h2-5,12H,1,6-7H2
InChI Key:
IOHPKRIYFUZRJA-UHFFFAOYSA-N
SMILES:
BrCCCOC(=O)c1ccc(cc1)O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.099g/mol
Monoisotopic Mass:
257.989g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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