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50594-97-3 | Bis(1-chloroethyl) carbonate
CAS No: 50594-97-3 Catalog No: AG003O7G MDL No:MFCD20622709
Product Description
Catalog Number:
AG003O7G
Chemical Name:
Bis(1-chloroethyl) carbonate
CAS Number:
50594-97-3
Molecular Formula:
C5H8Cl2O3
Molecular Weight:
187.0212
MDL Number:
MFCD20622709
IUPAC Name:
bis(1-chloroethyl) carbonate
InChI:
InChI=1S/C5H8Cl2O3/c1-3(6)9-5(8)10-4(2)7/h3-4H,1-2H3
InChI Key:
MZFKWPWFMYRWPP-UHFFFAOYSA-N
SMILES:
CC(OC(=O)OC(Cl)C)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:
185.985g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.016g/mol
Monoisotopic Mass:
185.985g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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