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80418-51-5 | Pentanoic acid, 3-chloro-, chloromethyl ester
CAS No: 80418-51-5 Catalog No: AG0053AU MDL No:
Product Description
Catalog Number:
AG0053AU
Chemical Name:
Pentanoic acid, 3-chloro-, chloromethyl ester
CAS Number:
80418-51-5
Molecular Formula:
C6H10Cl2O2
Molecular Weight:
185.0484
IUPAC Name:
chloromethyl 3-chloropentanoate
InChI:
InChI=1S/C6H10Cl2O2/c1-2-5(8)3-6(9)10-4-7/h5H,2-4H2,1H3
InChI Key:
OJAHETHLCCYRJD-UHFFFAOYSA-N
SMILES:
ClCOC(=O)CC(CC)Cl
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.006g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.044g/mol
Monoisotopic Mass:
184.006g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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