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129541-42-0 | Octanoic acid, 5-bromo-4-chloro-1H-indol-3-yl ester
CAS No: 129541-42-0 Catalog No: AG000Z85 MDL No:MFCD00083263
Product Description
Catalog Number:
AG000Z85
Chemical Name:
Octanoic acid, 5-bromo-4-chloro-1H-indol-3-yl ester
CAS Number:
129541-42-0
Molecular Formula:
C16H19BrClNO2
Molecular Weight:
372.6846
MDL Number:
MFCD00083263
IUPAC Name:
(5-bromo-4-chloro-1H-indol-3-yl) octanoate
InChI:
InChI=1S/C16H19BrClNO2/c1-2-3-4-5-6-7-14(20)21-13-10-19-12-9-8-11(17)16(18)15(12)13/h8-10,19H,2-7H2,1H3
InChI Key:
QTWMXGHFXBQNEJ-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)Oc1c[nH]c2c1c(Cl)c(Br)cc2
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.029g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.687g/mol
Monoisotopic Mass:
371.029g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
Literature
| Title | Journal |
|---|---|
| Identification and characterization of a novel thermostable pyrethroid-hydrolyzing enzyme isolated through metagenomic approach. | Microbial cell factories 20120101 |
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