Home > Compound List > Compound details
MFCD00671893 molecular structure
click picture or here to close

1-chloro-3-(2-chloroprop-2-en-1-yl)benzene

ChemBase ID: 73775
Molecular Formular: C9H8Cl2
Molecular Mass: 187.06582
Monoisotopic Mass: 186.00030562
SMILES and InChIs

SMILES:
Clc1cccc(c1)CC(=C)Cl
Canonical SMILES:
ClC(=C)Cc1cccc(c1)Cl
InChI:
InChI=1S/C9H8Cl2/c1-7(10)5-8-3-2-4-9(11)6-8/h2-4,6H,1,5H2
InChIKey:
HVCGFGCJDDMLBY-UHFFFAOYSA-N

Cite this record

CBID:73775 http://www.chembase.cn/molecule-73775.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-chloro-3-(2-chloroprop-2-en-1-yl)benzene
IUPAC Traditional name
1-chloro-3-(2-chloroprop-2-en-1-yl)benzene
Synonyms
2-Chloro-3-(3-chlorophenyl)prop-1-ene
3-(2-Chloroprop-2-en-1-yl)chlorobenzene
MDL Number
MFCD00671893
PubChem SID
162038694
PubChem CID
24721723

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR01886 external link Add to cart Please log in.
Data Source Data ID
PubChem 24721723 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.756717  LogD (pH = 7.4) 3.756717 
Log P 3.756717  Molar Refractivity 50.0203 cm3
Polarizability 19.295603 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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