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Methyl (E) -4-chlorobut-2-enoate

CAT: 0127-OR1052747-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1052747-01Size:250 mg
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CAS Number
999-54-2
Purity
95%
Smiles
O=C(OC)/C=C/CCl

Chemical Information

Methyl (E)-4-chlorobut-2-enoate
CAS Number999-54-2
PubChem CID11829493
IUPAC Namemethyl (E)-4-chlorobut-2-enoate
Molecular FormulaC5H7ClO2
Molecular Weight134.56
XLogP1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity98
SMILES
COC(=O)/C=C/CCl
InChI
InChI=1S/C5H7ClO2/c1-8-5(7)3-2-4-6/h2-3H,4H2,1H3/b3-2+
InChIKey
HVZYNAMDXGRPBS-NSCUHMNNSA-N
Chemical Structure
2D Structure
2D structure of Methyl (E)-4-chlorobut-2-enoate
CAS: 999-54-2
CID: 11829493
Formula: C5H7ClO2
MW: 134.56
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.56
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass134.0134572
Monoisotopic Mass134.0134572
Topological Polar Surface Area26.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity98.6
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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Alternative Products

CatalogName
BCA17163-01Methyl 2-chlorobut-3-enoate
RG-M050896-01Methyl 4-Bromobut-2-Enoate
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NMC21658-01Methyl 3- (4-fluorophenyl) but-2-enoate
AK ML 0544-01Methyl (E) -4-phenylmethoxybut-2-enoate
AK ML 0532-01Methyl (E) -4-methoxybut-2-enoate
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