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88606-75-1 | Nonanoic acid, 2,3-dichloropropyl ester
CAS No: 88606-75-1 Catalog No: AG004CBD MDL No:
Product Description
Catalog Number:
AG004CBD
Chemical Name:
Nonanoic acid, 2,3-dichloropropyl ester
CAS Number:
88606-75-1
Molecular Formula:
C12H22Cl2O2
Molecular Weight:
269.2079
IUPAC Name:
2,3-dichloropropyl nonanoate
InChI:
InChI=1S/C12H22Cl2O2/c1-2-3-4-5-6-7-8-12(15)16-10-11(14)9-13/h11H,2-10H2,1H3
InChI Key:
BXJMQBQMBVTIQP-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)OCC(CCl)Cl
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.206g/mol
Monoisotopic Mass:
268.1g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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