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88606-67-1 | Butanoic acid, 3-methyl-, 2-chloro-1-(chloromethyl)ethyl ester
CAS No: 88606-67-1 Catalog No: AG004ATA MDL No:
Product Description
Catalog Number:
AG004ATA
Chemical Name:
Butanoic acid, 3-methyl-, 2-chloro-1-(chloromethyl)ethyl ester
CAS Number:
88606-67-1
Molecular Formula:
C8H14Cl2O2
Molecular Weight:
213.1016
IUPAC Name:
1,3-dichloropropan-2-yl 3-methylbutanoate
InChI:
InChI=1S/C8H14Cl2O2/c1-6(2)3-8(11)12-7(4-9)5-10/h6-7H,3-5H2,1-2H3
InChI Key:
SNAXAHQPMUSTMV-UHFFFAOYSA-N
SMILES:
ClCC(OC(=O)CC(C)C)CCl
Properties
Complexity:
133
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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