Home Halogens butyl 1-chloroethyl carbonate

butyl 1-chloroethyl carbonate

CAS No.:
91508-03-1
Catalog Number:
AG01A5T7
Molecular Formula:
C7H13ClO3
Molecular Weight:
180.6293
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Product Description
Catalog Number:
AG01A5T7
Chemical Name:
butyl 1-chloroethyl carbonate
CAS Number:
91508-03-1
Molecular Formula:
C7H13ClO3
Molecular Weight:
180.6293
MDL Number:
MFCD20623328
IUPAC Name:
butyl 1-chloroethyl carbonate
InChI:
InChI=1S/C7H13ClO3/c1-3-4-5-10-7(9)11-6(2)8/h6H,3-5H2,1-2H3
InChI Key:
WQRYMQHLFDVPFS-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)OC(Cl)C
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.055g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.628g/mol
Monoisotopic Mass:
180.055g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties