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129529-37-9 | Benzoic acid, 4-(acetylamino)-5-chloro-2-methoxy-3-(2-propen-1-yl)-, methyl ester
CAS No: 129529-37-9 Catalog No: AG000Z7B MDL No:
Product Description
Catalog Number:
AG000Z7B
Chemical Name:
Benzoic acid, 4-(acetylamino)-5-chloro-2-methoxy-3-(2-propen-1-yl)-, methyl ester
CAS Number:
129529-37-9
Molecular Formula:
C14H16ClNO4
Molecular Weight:
297.7341
IUPAC Name:
methyl 4-acetamido-5-chloro-2-methoxy-3-prop-2-enylbenzoate
InChI:
InChI=1S/C14H16ClNO4/c1-5-6-9-12(16-8(2)17)11(15)7-10(13(9)19-3)14(18)20-4/h5,7H,1,6H2,2-4H3,(H,16,17)
InChI Key:
HKEVCKOOCUWGCS-UHFFFAOYSA-N
SMILES:
C=CCc1c(OC)c(cc(c1NC(=O)C)Cl)C(=O)OC
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.077g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.735g/mol
Monoisotopic Mass:
297.077g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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