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89416-38-6 | Propanoic acid, 3-chloro-, 2-chloroethyl ester
CAS No: 89416-38-6 Catalog No: AG0043PJ MDL No:
Product Description
Catalog Number:
AG0043PJ
Chemical Name:
Propanoic acid, 3-chloro-, 2-chloroethyl ester
CAS Number:
89416-38-6
Molecular Formula:
C5H8Cl2O2
Molecular Weight:
171.0218
IUPAC Name:
2-chloroethyl 3-chloropropanoate
InChI:
InChI=1S/C5H8Cl2O2/c6-2-1-5(8)9-4-3-7/h1-4H2
InChI Key:
FLICUHJJWNKVBT-UHFFFAOYSA-N
SMILES:
ClCCOC(=O)CCCl
NSC Number:
404506
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.99g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.017g/mol
Monoisotopic Mass:
169.99g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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