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26464-32-4 | Butanoic acid, 2-chloro-, methyl ester
CAS No: 26464-32-4 Catalog No: AG002TCI MDL No:MFCD00041451
Product Description
Catalog Number:
AG002TCI
Chemical Name:
Butanoic acid, 2-chloro-, methyl ester
CAS Number:
26464-32-4
Molecular Formula:
C5H9ClO2
Molecular Weight:
136.5768
MDL Number:
MFCD00041451
IUPAC Name:
methyl 2-chlorobutanoate
InChI:
InChI=1S/C5H9ClO2/c1-3-4(6)5(7)8-2/h4H,3H2,1-2H3
InChI Key:
BHQQXAOBIZQEGI-UHFFFAOYSA-N
SMILES:
CCC(C(=O)OC)Cl
Properties
Complexity:
82.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.029g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.575g/mol
Monoisotopic Mass:
136.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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