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190278-38-7 | Benzoic acid, 5-bromo-2-hydroxy-4-(phenylmethoxy)-, methyl ester
CAS No: 190278-38-7 Catalog No: AG002EFY MDL No:
Product Description
Catalog Number:
AG002EFY
Chemical Name:
Benzoic acid, 5-bromo-2-hydroxy-4-(phenylmethoxy)-, methyl ester
CAS Number:
190278-38-7
Molecular Formula:
C15H13BrO4
Molecular Weight:
337.1653
IUPAC Name:
methyl 5-bromo-2-hydroxy-4-phenylmethoxybenzoate
InChI:
InChI=1S/C15H13BrO4/c1-19-15(18)11-7-12(16)14(8-13(11)17)20-9-10-5-3-2-4-6-10/h2-8,17H,9H2,1H3
InChI Key:
KLNYWTFBXGQVHO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)c(cc1O)OCc1ccccc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.169g/mol
Monoisotopic Mass:
336g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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