Home
News
Search
Basic
Structure
Physicochemical properties
Topological properties
Services
Virtual Screening
Docking
Chemoinformatics
Training
Help
Data Description
Version History
FAQ
Your Comments
Data Submission
Statistics
Compound: 5546
Plants: 312
References: 992
Visitors: 49
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Benzene,1-fluoro-2-methoxy
ScientificNameLabel
Benzene,1-fluoro-2-methoxy
PHCD compound ID :
5134
Chemical Names :
Benzene,1-fluoro-2-methoxy
Molecular Formula :
C7H7F1O1
Molecular Weight :
126.048093
More Details :
Names & Synonyms:
1-fluoro-2-methoxy-benzene , 1-fluoro-2-methoxybenzene , 1-fluoranyl-2-methoxy-benzene
Smiles:
COc1ccccc1F
InChi :
InChI=1S/C7H7FO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
InChi Key :
InChIKey=JIXDOBAQOWOUPA-UHFFFAOYSA-N
PubChem ID :
67576
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.128015
Hydrogen bond donor count :
0
Electric dipole moment :
2.684
XLogP :
1.172
VDW volume :
113.320302
Molecular weight :
126.048093
HOMO-LUMO gap :
9.020000
Herb list :
Tea - Camellia sinensis - چای
Refrences & Litretures:
813. Journal:'J Biomedical Sci' Year:'2018' Volume:'7' Page:'1' DOI:'10.4172/2254-609X.100089' Title:'Antioxidative Activity Of Essential Oil Of Flowers Of Tea (Camellia Sinensis L.) Plants Extracted By Supercritical Carbon Dioxide'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us