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125974-01-8 | 2(5H)-Furanone, 3-chloro-4-(chloromethyl)-
CAS No: 125974-01-8 Catalog No: AG000QLO MDL No:
Product Description
Catalog Number:
AG000QLO
Chemical Name:
2(5H)-Furanone, 3-chloro-4-(chloromethyl)-
CAS Number:
125974-01-8
Molecular Formula:
C5H4Cl2O2
Molecular Weight:
166.9901
IUPAC Name:
4-chloro-3-(chloromethyl)-2H-furan-5-one
InChI:
InChI=1S/C5H4Cl2O2/c6-1-3-2-9-5(8)4(3)7/h1-2H2
InChI Key:
JYTLOAIDAIPVPW-UHFFFAOYSA-N
SMILES:
ClCC1=C(Cl)C(=O)OC1
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.959g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.985g/mol
Monoisotopic Mass:
165.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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