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2293-75-6 | Carbonochloridic acid, 2-methoxyphenyl ester
CAS No: 2293-75-6 Catalog No: AG002LJJ MDL No:MFCD02093715
Product Description
Catalog Number:
AG002LJJ
Chemical Name:
Carbonochloridic acid, 2-methoxyphenyl ester
CAS Number:
2293-75-6
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
MDL Number:
MFCD02093715
IUPAC Name:
(2-methoxyphenyl) carbonochloridate
InChI:
InChI=1S/C8H7ClO3/c1-11-6-4-2-3-5-7(6)12-8(9)10/h2-5H,1H3
InChI Key:
VDLQSPNQAVRJND-UHFFFAOYSA-N
SMILES:
COc1ccccc1OC(=O)Cl
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.008g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.591g/mol
Monoisotopic Mass:
186.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Use of Linear Free Energy Relationships (LFERs) to elucidate the mechanisms of reaction of a γ-methyl-β-alkynyl and an ortho-substituted aryl chloroformate ester. | International journal of molecular sciences 20120101 |
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