Chloromethylbezene

ScientificNameLabel

Chloromethylbezene
PHCD compound ID :	5408
Chemical Names :	Chloromethylbezene
Molecular Formula :	C7H7Cl1
Molecular Weight :	126.023628

More Details :

Names & Synonyms:	chloromethylbenzene
Smiles:	ClCc1ccccc1
InChi :	InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
InChi Key :	InChIKey=KCXMKQUNVWSEMD-UHFFFAOYSA-N
PubChem ID :	7503

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	0	Ionization potential :	9.855018
Hydrogen bond donor count :	0	Electric dipole moment :	2.211
XLogP :	1.867	VDW volume :	113.673584
Molecular weight :	126.023628	HOMO-LUMO gap :	9.537000

Herb list :

Tooth brush tree, Mustard-seed - Salvadora persica - چوج، درخت مسواک

Refrences & Litretures:


895. Journal:'Pharmaceutical Biology' Year:'2003' Volume:'41' Page:'399' DOI:'10.1076/phbi.41.6.399.17826' Title:'Volatile Compounds in Crude Salvadora persica Extracts'

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