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4093-31-6 | Methyl 4-acetamido-5-chloro-2-methoxybenzoate
CAS No: 4093-31-6 Catalog No: AG003RUC MDL No:MFCD00048191
Product Description
Catalog Number:
AG003RUC
Chemical Name:
Methyl 4-acetamido-5-chloro-2-methoxybenzoate
CAS Number:
4093-31-6
Molecular Formula:
C11H12ClNO4
Molecular Weight:
257.6703
MDL Number:
MFCD00048191
IUPAC Name:
methyl 4-acetamido-5-chloro-2-methoxybenzoate
InChI:
InChI=1S/C11H12ClNO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14)
InChI Key:
OUEXNQRVYGYGIK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c(cc1OC)NC(=O)C
EC Number:
223-840-1
UNII:
3D7Z5O4UXA
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.045g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.67g/mol
Monoisotopic Mass:
257.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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