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24608-52-4 | Carbonochloridic acid, 1,1-diMethylethyl ester
CAS No: 24608-52-4 Catalog No: AG002OR1 MDL No:MFCD17013431
Product Description
Catalog Number:
AG002OR1
Chemical Name:
Carbonochloridic acid, 1,1-diMethylethyl ester
CAS Number:
24608-52-4
Molecular Formula:
C5H9ClO2
Molecular Weight:
136.5768
MDL Number:
MFCD17013431
IUPAC Name:
tert-butyl carbonochloridate
InChI:
InChI=1S/C5H9ClO2/c1-5(2,3)8-4(6)7/h1-3H3
InChI Key:
UJJDEOLXODWCGK-UHFFFAOYSA-N
SMILES:
ClC(=O)OC(C)(C)C
Properties
Complexity:
93.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.029g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.575g/mol
Monoisotopic Mass:
136.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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