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Home Other Building Blocks Carbonochloridic acid, 2-methoxyphenyl ester

Carbonochloridic acid, 2-methoxyphenyl ester

CAS No.:
2293-75-6
Catalog Number:
AG002LJJ
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
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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
Properties