2-Chlorocinnamoyl chloride

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CAS Number

35086-82-9

Synonyms

3- (2-Chlorophenyl) prop-2-enoyl chloride, 3- (2-Chlorophenyl) acryloyl chloride

MDL Number

MFCD00039311

Purity

=95%

Smiles

ClC(=O)\C=C\c1ccccc1Cl

Chemical Information

2-Chlorocinnamoyl chloride

CAS Number	35086-82-9
PubChem CID	5702880
IUPAC Name	(E)-3-(2-chlorophenyl)prop-2-enoyl chloride
Molecular Formula	C9H6Cl2O
Molecular Weight	201.05
XLogP	3.5
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	189

SMILES

C1=CC=C(C(=C1)/C=C/C(=O)Cl)Cl

InChI

InChI=1S/C9H6Cl2O/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H/b6-5+

InChIKey

ZAUFNZFFWDQKPL-AATRIKPKSA-N

Chemical Structure

2D Structure

CAS: 35086-82-9

CID: 5702880

Formula: C9H6Cl2O

MW: 201.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	201.05
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	199.9795702
Monoisotopic Mass	199.9795702
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	189
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
sc-230211	2-Chlorocinnamoyl chloride
AR-M04944-01	Mivacurium Chloride Impurity 2 Chloride
820010	2‐TRIMETHYLSILYL ETHOXYMETHYL CHLORIDE (SEM CHLORIDE)
097335-01	2-Furoyl Chloride for Synthesis (Furan-2-Carbonyl Chloride)
419294-01	2,2-Difluorocyclopropanesulfonyl Chloride
159794	2,2-Dimethylpropanoyl Chloride
TRC-D471465-10G	2,2-Dimethylbutanoyl Chloride
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AR-A01466-01	2,2-diphenylacetyl chloride