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80418-54-8 | Hexanoic acid, 3-chloro-, chloromethyl ester
CAS No: 80418-54-8 Catalog No: AG0053AT MDL No:
Product Description
Catalog Number:
AG0053AT
Chemical Name:
Hexanoic acid, 3-chloro-, chloromethyl ester
CAS Number:
80418-54-8
Molecular Formula:
C7H12Cl2O2
Molecular Weight:
199.0750
IUPAC Name:
chloromethyl 3-chlorohexanoate
InChI:
InChI=1S/C7H12Cl2O2/c1-2-3-6(9)4-7(10)11-5-8/h6H,2-5H2,1H3
InChI Key:
FWVZTAJOBMVDDT-UHFFFAOYSA-N
SMILES:
CCCC(CC(=O)OCCl)Cl
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.021g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.071g/mol
Monoisotopic Mass:
198.021g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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