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89481-86-7 | Methyl 4-acetamido-5-bromo-2-hydroxybenzoate
CAS No: 89481-86-7 Catalog No: AG0041MG MDL No:
Product Description
Catalog Number:
AG0041MG
Chemical Name:
Methyl 4-acetamido-5-bromo-2-hydroxybenzoate
CAS Number:
89481-86-7
Molecular Formula:
C10H10BrNO4
Molecular Weight:
288.0947
IUPAC Name:
methyl 4-acetamido-5-bromo-2-hydroxybenzoate
InChI:
InChI=1S/C10H10BrNO4/c1-5(13)12-8-4-9(14)6(3-7(8)11)10(15)16-2/h3-4,14H,1-2H3,(H,12,13)
InChI Key:
REGVTULAYHXJGG-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)c(cc1O)NC(=O)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.979g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.097g/mol
Monoisotopic Mass:
286.979g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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