Home Halogens methyl 2-acetyl-5-chlorobenzoate

methyl 2-acetyl-5-chlorobenzoate

CAS No.:
1210474-89-7
Catalog Number:
AG01B1CC
Molecular Formula:
C10H9ClO3
Molecular Weight:
212.6297
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Product Description
Catalog Number:
AG01B1CC
Chemical Name:
methyl 2-acetyl-5-chlorobenzoate
CAS Number:
1210474-89-7
Molecular Formula:
C10H9ClO3
Molecular Weight:
212.6297
MDL Number:
MFCD25956597
IUPAC Name:
methyl 2-acetyl-5-chlorobenzoate
InChI:
InChI=1S/C10H9ClO3/c1-6(12)8-4-3-7(11)5-9(8)10(13)14-2/h3-5H,1-2H3
InChI Key:
GRIZRWIVKZXLBP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)ccc1C(=O)C
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.024g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.629g/mol
Monoisotopic Mass:
212.024g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties