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143878-24-4 | Benzoic acid, 4-(acetylamino)-5-chloro-2-hydroxy-3-iodo-, methyl ester
CAS No: 143878-24-4 Catalog No: AG001IJX MDL No:
Product Description
Catalog Number:
AG001IJX
Chemical Name:
Benzoic acid, 4-(acetylamino)-5-chloro-2-hydroxy-3-iodo-, methyl ester
CAS Number:
143878-24-4
Molecular Formula:
C10H9ClINO4
Molecular Weight:
369.5402
IUPAC Name:
methyl 4-acetamido-5-chloro-2-hydroxy-3-iodobenzoate
InChI:
InChI=1S/C10H9ClINO4/c1-4(14)13-8-6(11)3-5(10(16)17-2)9(15)7(8)12/h3,15H,1-2H3,(H,13,14)
InChI Key:
KHLJMCYDOCEJNR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c(c(c1O)I)NC(=O)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.926g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
369.539g/mol
Monoisotopic Mass:
368.926g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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