Octane,4brom-

ScientificNameLabel

Octane,4brom-
PHCD compound ID :	3390
Chemical Names :	Octane,4brom-
Molecular Formula :	C8H17Br1
Molecular Weight :	192.051363

More Details :

Names & Synonyms:	4-bromooctane , 4-bromanyloctane
Smiles:	CCCC[C@@H](CCC)Br
InChi :	InChI=1S/C8H17Br/c1-3-5-7-8(9)6-4-2/h8H,3-7H2,1-2H3/t8-/m1/s1
InChi Key :	InChIKey=FDODEDHSASFCSW-MRVPVSSYSA-N
PubChem ID :	102536

Rotatable bond count :	5	Rule of five :	0
Hydrogen bond acceptor count :	0	Ionization potential :	9.984579
Hydrogen bond donor count :	0	Electric dipole moment :	2.727
XLogP :	4.456	VDW volume :	166.207955
Molecular weight :	192.051363	HOMO-LUMO gap :	10.549000

Herb list :

Garlic - Allium sativum - سیر

Refrences & Litretures:


468. Journal:'IOSR-JESTFT' Year:'2013' Volume:'3' Page:'30' DOI:'' Title:'Chemical composition and biological activity of Allium sativum essential oils against Callosobruchus maculatus'

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