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88606-62-6 | Butanoic acid, 3-methyl-, 2,3-dichloropropyl ester
CAS No: 88606-62-6 Catalog No: AG004ATD MDL No:
Product Description
Catalog Number:
AG004ATD
Chemical Name:
Butanoic acid, 3-methyl-, 2,3-dichloropropyl ester
CAS Number:
88606-62-6
Molecular Formula:
C8H14Cl2O2
Molecular Weight:
213.1016
IUPAC Name:
2,3-dichloropropyl 3-methylbutanoate
InChI:
InChI=1S/C8H14Cl2O2/c1-6(2)3-8(11)12-5-7(10)4-9/h6-7H,3-5H2,1-2H3
InChI Key:
PFULRUXYGVMVTG-UHFFFAOYSA-N
SMILES:
ClCC(COC(=O)CC(C)C)Cl
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.037g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.098g/mol
Monoisotopic Mass:
212.037g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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