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7377-26-6 | Methyl 4-(chlorocarbonyl)benzoate
CAS No: 7377-26-6 Catalog No: AG003RV1 MDL No:MFCD00059486
Product Description
Catalog Number:
AG003RV1
Chemical Name:
Methyl 4-(chlorocarbonyl)benzoate
CAS Number:
7377-26-6
Molecular Formula:
C9H7ClO3
Molecular Weight:
198.6031
MDL Number:
MFCD00059486
IUPAC Name:
methyl 4-carbonochloridoylbenzoate
InChI:
InChI=1S/C9H7ClO3/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5H,1H3
InChI Key:
CVXXHXPNTZBZEL-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C(=O)Cl
EC Number:
230-937-2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.602g/mol
Monoisotopic Mass:
198.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Chemoselective synthesis of ketones and ketimines by addition of organometallic reagents to secondary amides. | Nature chemistry 20120221 |
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