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115395-68-1 | Carbonic acid, 2,2-dichloro-1-methylpropyl ethyl ester
CAS No: 115395-68-1 Catalog No: AG000FWU MDL No:
Product Description
Catalog Number:
AG000FWU
Chemical Name:
Carbonic acid, 2,2-dichloro-1-methylpropyl ethyl ester
CAS Number:
115395-68-1
Molecular Formula:
C7H12Cl2O3
Molecular Weight:
215.0744
IUPAC Name:
3,3-dichlorobutan-2-yl ethyl carbonate
InChI:
InChI=1S/C7H12Cl2O3/c1-4-11-6(10)12-5(2)7(3,8)9/h5H,4H2,1-3H3
InChI Key:
ZXFQFBQVMUPNRS-UHFFFAOYSA-N
SMILES:
CCOC(=O)OC(C(Cl)(Cl)C)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.016g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.07g/mol
Monoisotopic Mass:
214.016g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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