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128401-55-8 | Benzoic acid, 4-(acetyloxy)-3-bromo-, ethyl ester
CAS No: 128401-55-8 Catalog No: AG000Y22 MDL No:
Product Description
Catalog Number:
AG000Y22
Chemical Name:
Benzoic acid, 4-(acetyloxy)-3-bromo-, ethyl ester
CAS Number:
128401-55-8
Molecular Formula:
C11H11BrO4
Molecular Weight:
287.1066
IUPAC Name:
ethyl 4-acetyloxy-3-bromobenzoate
InChI:
InChI=1S/C11H11BrO4/c1-3-15-11(14)8-4-5-10(9(12)6-8)16-7(2)13/h4-6H,3H2,1-2H3
InChI Key:
DIDIXRYXSCSAAY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)Br)OC(=O)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.984g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.109g/mol
Monoisotopic Mass:
285.984g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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