Home Halogens 2-chlorobut-3-enoic acid

2-chlorobut-3-enoic acid

CAS No.:
24253-33-6
Catalog Number:
AG01B8L3
Molecular Formula:
C4H5ClO2
Molecular Weight:
120.5343
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Product Description
Catalog Number:
AG01B8L3
Chemical Name:
2-chlorobut-3-enoic acid
CAS Number:
24253-33-6
Molecular Formula:
C4H5ClO2
Molecular Weight:
120.5343
MDL Number:
MFCD19228502
IUPAC Name:
2-chlorobut-3-enoic acid
InChI:
InChI=1S/C4H5ClO2/c1-2-3(5)4(6)7/h2-3H,1H2,(H,6,7)
InChI Key:
JQEARNLFCSAAPV-UHFFFAOYSA-N
SMILES:
OC(=O)C(C=C)Cl
Properties
Complexity:
89.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.998g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
120.532g/mol
Monoisotopic Mass:
119.998g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties