Home > Compound List > Compound details
15851-91-9 molecular structure
click picture or here to close

(2E)-3-(2-methoxyphenyl)prop-2-enoyl chloride

ChemBase ID: 57165
Molecular Formular: C10H9ClO2
Molecular Mass: 196.63026
Monoisotopic Mass: 196.02910721
SMILES and InChIs

SMILES:
COc1c(/C=C/C(=O)Cl)cccc1
Canonical SMILES:
COc1ccccc1/C=C/C(=O)Cl
InChI:
InChI=1S/C10H9ClO2/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3/b7-6+
InChIKey:
FVKDKLWEAIAPHW-VOTSOKGWSA-N

Cite this record

CBID:57165 http://www.chembase.cn/molecule-57165.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2E)-3-(2-methoxyphenyl)prop-2-enoyl chloride
IUPAC Traditional name
(2E)-3-(2-methoxyphenyl)prop-2-enoyl chloride
Synonyms
(E)-3-(2-methoxyphenyl)acryloyl chloride
(2E)-3-(2-Methoxyphenyl)acryloyl chloride
CAS Number
15851-91-9
MDL Number
MFCD00039312
PubChem SID
162061928
PubChem CID
7061841

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 7061841 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5117447  LogD (pH = 7.4) 2.5117447 
Log P 2.5117447  Molar Refractivity 53.3816 cm3
Polarizability 20.135355 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle