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86273-55-4 | 3-chloropropane-1,2-diyl dipropanoate
CAS No: 86273-55-4 Catalog No: AG004RL1 MDL No:
Product Description
Catalog Number:
AG004RL1
Chemical Name:
3-chloropropane-1,2-diyl dipropanoate
CAS Number:
86273-55-4
Molecular Formula:
C9H15ClO4
Molecular Weight:
222.6660
IUPAC Name:
(3-chloro-2-propanoyloxypropyl) propanoate
InChI:
InChI=1S/C9H15ClO4/c1-3-8(11)13-6-7(5-10)14-9(12)4-2/h7H,3-6H2,1-2H3
InChI Key:
GKBJJKSFBRKTIY-UHFFFAOYSA-N
SMILES:
CCC(=O)OCC(OC(=O)CC)CCl
NSC Number:
44719
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.066g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.665g/mol
Monoisotopic Mass:
222.066g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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