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4509-90-4 | 5-Bromovaleryl chloride
CAS No: 4509-90-4 Catalog No: AG003MLC MDL No:MFCD00013660
Product Description
Catalog Number:
AG003MLC
Chemical Name:
5-Bromovaleryl chloride
CAS Number:
4509-90-4
Molecular Formula:
C5H8BrClO
Molecular Weight:
199.4734
MDL Number:
MFCD00013660
IUPAC Name:
5-bromopentanoyl chloride
InChI:
InChI=1S/C5H8BrClO/c6-4-2-1-3-5(7)8/h1-4H2
InChI Key:
OKRUMSWHDWKGHA-UHFFFAOYSA-N
SMILES:
BrCCCCC(=O)Cl
EC Number:
629-364-4
Properties
Complexity:
74.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.945g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.472g/mol
Monoisotopic Mass:
197.945g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Analogues of amphibian alkaloids: total synthesis of (5R,8S,8aS)-(-)-8-methyl-5-pentyloctahydroindolizine (8-epi-indolizidine 209B) and [(1S,4R,9aS)-(-)-4-pentyloctahydro-2H-quinolizin-1-yl]methanol. | Beilstein journal of organic chemistry 20080101 |
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