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17696-64-9 | Acetic acid, 2-chloro-, 1-methylpropyl ester
CAS No: 17696-64-9 Catalog No: AG002504 MDL No:
Product Description
Catalog Number:
AG002504
Chemical Name:
Acetic acid, 2-chloro-, 1-methylpropyl ester
CAS Number:
17696-64-9
Molecular Formula:
C6H11ClO2
Molecular Weight:
150.6033
IUPAC Name:
butan-2-yl 2-chloroacetate
InChI:
InChI=1S/C6H11ClO2/c1-3-5(2)9-6(8)4-7/h5H,3-4H2,1-2H3
InChI Key:
MCUHSYTVMNEJFT-UHFFFAOYSA-N
SMILES:
CCC(OC(=O)CCl)C
EC Number:
691-865-9
NSC Number:
122557
Properties
Complexity:
93.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.045g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.602g/mol
Monoisotopic Mass:
150.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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