Home Halogens Methyl-4-chloro-2-butynoate

Methyl-4-chloro-2-butynoate

CAS No.:
41658-12-2
Catalog Number:
AG00D6V2
Molecular Formula:
C5H5ClO2
Molecular Weight:
132.5450
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Product Description
Catalog Number:
AG00D6V2
Chemical Name:
Methyl-4-chloro-2-butynoate
CAS Number:
41658-12-2
Molecular Formula:
C5H5ClO2
Molecular Weight:
132.5450
MDL Number:
MFCD19232073
IUPAC Name:
methyl 4-chlorobut-2-ynoate
InChI:
InChI=1S/C5H5ClO2/c1-8-5(7)3-2-4-6/h4H2,1H3
InChI Key:
SQWTVWVBVHSZGM-UHFFFAOYSA-N
SMILES:
COC(=O)C#CCCl
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.998g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.543g/mol
Monoisotopic Mass:
131.998g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties