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83498-71-9 | Carbonic acid, 2-chloroethyl hexyl ester
CAS No: 83498-71-9 Catalog No: AG005072 MDL No:
Product Description
Catalog Number:
AG005072
Chemical Name:
Carbonic acid, 2-chloroethyl hexyl ester
CAS Number:
83498-71-9
Molecular Formula:
C9H17ClO3
Molecular Weight:
208.6825
IUPAC Name:
2-chloroethyl hexyl carbonate
InChI:
InChI=1S/C9H17ClO3/c1-2-3-4-5-7-12-9(11)13-8-6-10/h2-8H2,1H3
InChI Key:
JWJZZDQNTHWDTD-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)OCCCl
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.087g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.682g/mol
Monoisotopic Mass:
208.087g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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