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128403-77-0 | Benzoic acid, 4-(hexyloxy)-, 4-bromophenyl ester
CAS No: 128403-77-0 Catalog No: AG000Y1Y MDL No:
Product Description
Catalog Number:
AG000Y1Y
Chemical Name:
Benzoic acid, 4-(hexyloxy)-, 4-bromophenyl ester
CAS Number:
128403-77-0
Molecular Formula:
C19H21BrO3
Molecular Weight:
377.2722
IUPAC Name:
(4-bromophenyl) 4-hexoxybenzoate
InChI:
InChI=1S/C19H21BrO3/c1-2-3-4-5-14-22-17-10-6-15(7-11-17)19(21)23-18-12-8-16(20)9-13-18/h6-13H,2-5,14H2,1H3
InChI Key:
KWHKHUOHJYIJTD-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)Br
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.067g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.278g/mol
Monoisotopic Mass:
376.067g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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