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16732-09-5 | Hexanoic acid, 2,4,6-tribromophenyl ester
CAS No: 16732-09-5 Catalog No: AG001XAY MDL No:MFCD00059464
Product Description
Catalog Number:
AG001XAY
Chemical Name:
Hexanoic acid, 2,4,6-tribromophenyl ester
CAS Number:
16732-09-5
Molecular Formula:
C12H13Br3O2
Molecular Weight:
428.9424
MDL Number:
MFCD00059464
IUPAC Name:
(2,4,6-tribromophenyl) hexanoate
InChI:
InChI=1S/C12H13Br3O2/c1-2-3-4-5-11(16)17-12-9(14)6-8(13)7-10(12)15/h6-7H,2-5H2,1H3
InChI Key:
WKADNUIXFNFRSW-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)Oc1c(Br)cc(cc1Br)Br
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.845g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.946g/mol
Monoisotopic Mass:
425.847g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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