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E-Crotonoyl Chloride

CAT: 0572-TRC-C818810-50GSize: 50 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-C818810-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
625-35-4
Synonyms
(2E)-2-Butenoyl Chloride; (E)-2-Butenoyl Chloride; (E)-Crotonoyl Chloride; (E)-But-2-enoyl Chloride; (E)-Crotonic Acid Chloride; (E)-Crotonyl Chloride; trans-2-Butenoyl Chloride; trans-Crotonoyl Chloride; trans-Crotonyl Chloride
Hazard Statement
Flammable liquid and vapour; UN number: UN2920; Packing Group: II
Smiles
C\C=C\C(=O)Cl
Molecular Formula
C4H5ClO
Molecular Weight
104.53
Shipping Conditions
Room Temperature

Chemical Information

trans-Crotonyl chloride

See also: 2-Butenoyl chloride (annotation moved to).

CAS Number625-35-4
PubChem CID643131
IUPAC Name(E)-but-2-enoyl chloride
Molecular FormulaC4H5ClO
Molecular Weight104.53
XLogP1.6
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity75
SMILES
C/C=C/C(=O)Cl
InChI
InChI=1S/C4H5ClO/c1-2-3-4(5)6/h2-3H,1H3/b3-2+
InChIKey
RJUIDDKTATZJFE-NSCUHMNNSA-N
Chemical Structure
2D Structure
2D structure of trans-Crotonyl chloride
CAS: 625-35-4
CID: 643131
Formula: C4H5ClO
MW: 104.53
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight104.53
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass104.0028925
Monoisotopic Mass104.0028925
Topological Polar Surface Area17.1 Ų
Heavy Atom Count6
Formal Charge0
Complexity75.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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