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1355048-98-4 | Methyl 5-bromo-2-(2-methoxy-2-oxoethyl)benzoate
CAS No: 1355048-98-4 Catalog No: AG01FFXD MDL No:
Product Description
Catalog Number:
AG01FFXD
Chemical Name:
Methyl 5-bromo-2-(2-methoxy-2-oxoethyl)benzoate
CAS Number:
1355048-98-4
Molecular Formula:
C11H11BrO4
Molecular Weight:
287.1066
IUPAC Name:
methyl 5-bromo-2-(2-methoxy-2-oxoethyl)benzoate
InChI:
InChI=1S/C11H11BrO4/c1-15-10(13)5-7-3-4-8(12)6-9(7)11(14)16-2/h3-4,6H,5H2,1-2H3
InChI Key:
QHKJASKHRONXLL-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(cc1C(=O)OC)Br
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:
2.3
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