CAS
91425-61-5 Purity
96%
91425-61-5 Purity
96%
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3-(But-3-en-1-yl)chlorobenzene
CAS
91426-46-9
Catalog Number
ACM91426469
Category
Other Products
Molecular Weight
166.65
Molecular Formula
C10H11Cl
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Specification
Synonyms
4-(3-Chlorophenyl)but-1-ene, 1-(But-3-en-1-yl)-3-chlorobenzene
IUPAC Name
1-but-3-enyl-3-chlorobenzene
SMILES
C=CCCC1=CC(=CC=C1)Cl
InChI Key
UZWLPNIQGFQVFP-UHFFFAOYSA-N
Boiling Point
212.3ºC at 760 mmHg
Flash Point
84.3ºC
Density
1.026g/cm³
Exact Mass
166.05500
H-Bond Acceptor
0
H-Bond Donor
0
What is the PubChem CID of the compound 3-(But-3-en-1-yl)chlorobenzene?
PubChem CID 20755393
What is the molecular formula of 3-(But-3-en-1-yl)chlorobenzene?
C10H11Cl
What is the molecular weight of 3-(But-3-en-1-yl)chlorobenzene?
166.65 g/mol
What is the IUPAC name of 3-(But-3-en-1-yl)chlorobenzene?
1-but-3-enyl-3-chlorobenzene
What is the InChI of 3-(But-3-en-1-yl)chlorobenzene?
InChI=1S/C10H11Cl/c1-2-3-5-9-6-4-7-10(11)8-9/h2,4,6-8H,1,3,5H2
What is the Canonical SMILES of 3-(But-3-en-1-yl)chlorobenzene?
C=CCCC1=CC(=CC=C1)Cl
What is the CAS number of 3-(But-3-en-1-yl)chlorobenzene?
91426-46-9
What is the XLogP3 value of 3-(But-3-en-1-yl)chlorobenzene?
4.3
How many rotatable bonds does 3-(But-3-en-1-yl)chlorobenzene have?
3
Is 3-(But-3-en-1-yl)chlorobenzene a canonicalized compound according to PubChem?
Yes
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