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24507-28-6 | Benzoic acid, 3-bromo-4-ethoxy-, methyl ester
CAS No: 24507-28-6 Catalog No: AG002ODN MDL No:MFCD06801000
Product Description
Catalog Number:
AG002ODN
Chemical Name:
Benzoic acid, 3-bromo-4-ethoxy-, methyl ester
CAS Number:
24507-28-6
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
MDL Number:
MFCD06801000
IUPAC Name:
methyl 3-bromo-4-ethoxybenzoate
InChI:
InChI=1S/C10H11BrO3/c1-3-14-9-5-4-7(6-8(9)11)10(12)13-2/h4-6H,3H2,1-2H3
InChI Key:
NCJZJVWOEXLSKA-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1Br)C(=O)OC
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.099g/mol
Monoisotopic Mass:
257.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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