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189289-09-6 | Benzoic acid, 3-[2-(bromomethyl)-4-methoxyphenoxy]-, methyl ester
CAS No: 189289-09-6 Catalog No: AG002I80 MDL No:
Product Description
Catalog Number:
AG002I80
Chemical Name:
Benzoic acid, 3-[2-(bromomethyl)-4-methoxyphenoxy]-, methyl ester
CAS Number:
189289-09-6
Molecular Formula:
C16H15BrO4
Molecular Weight:
351.1919
IUPAC Name:
methyl 3-[2-(bromomethyl)-4-methoxyphenoxy]benzoate
InChI:
InChI=1S/C16H15BrO4/c1-19-13-6-7-15(12(9-13)10-17)21-14-5-3-4-11(8-14)16(18)20-2/h3-9H,10H2,1-2H3
InChI Key:
ADVFIIBNPUAIIY-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)CBr)Oc1cccc(c1)C(=O)OC
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.015g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.196g/mol
Monoisotopic Mass:
350.015g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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