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88349-55-7 | Carbonic acid, 2-chloroethyl 1-(chloromethyl)propyl ester
CAS No: 88349-55-7 Catalog No: AG00476S MDL No:
Product Description
Catalog Number:
AG00476S
Chemical Name:
Carbonic acid, 2-chloroethyl 1-(chloromethyl)propyl ester
CAS Number:
88349-55-7
Molecular Formula:
C7H12Cl2O3
Molecular Weight:
215.0744
IUPAC Name:
1-chlorobutan-2-yl 2-chloroethyl carbonate
InChI:
InChI=1S/C7H12Cl2O3/c1-2-6(5-9)12-7(10)11-4-3-8/h6H,2-5H2,1H3
InChI Key:
CRWTWAKSJNFEFL-UHFFFAOYSA-N
SMILES:
ClCCOC(=O)OC(CCl)CC
Properties
Complexity:
130
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:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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