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89481-87-8 | Methyl 4-acetamido-5-chloro-2-(prop-2-yn-1-yloxy)benzoate
CAS No: 89481-87-8 Catalog No: AG0041MF MDL No:MFCD27665118
Product Description
Catalog Number:
AG0041MF
Chemical Name:
Methyl 4-acetamido-5-chloro-2-(prop-2-yn-1-yloxy)benzoate
CAS Number:
89481-87-8
Molecular Formula:
C13H12ClNO4
Molecular Weight:
281.6917
MDL Number:
MFCD27665118
IUPAC Name:
methyl 4-acetamido-5-chloro-2-prop-2-ynoxybenzoate
InChI:
InChI=1S/C13H12ClNO4/c1-4-5-19-12-7-11(15-8(2)16)10(14)6-9(12)13(17)18-3/h1,6-7H,5H2,2-3H3,(H,15,16)
InChI Key:
WKSGTEJRMLXGEG-UHFFFAOYSA-N
SMILES:
C#CCOc1cc(NC(=O)C)c(cc1C(=O)OC)Cl
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.045g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.692g/mol
Monoisotopic Mass:
281.045g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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