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24958-42-7 | Benzoic acid, 2-bromo-4-methoxy-5-(phenylmethoxy)-
CAS No: 24958-42-7 Catalog No: AG002PZE MDL No:MFCD03695499
Product Description
Catalog Number:
AG002PZE
Chemical Name:
Benzoic acid, 2-bromo-4-methoxy-5-(phenylmethoxy)-
CAS Number:
24958-42-7
Molecular Formula:
C15H13BrO4
Molecular Weight:
337.1653
MDL Number:
MFCD03695499
IUPAC Name:
2-bromo-4-methoxy-5-phenylmethoxybenzoic acid
InChI:
InChI=1S/C15H13BrO4/c1-19-13-8-12(16)11(15(17)18)7-14(13)20-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,18)
InChI Key:
FBTDEMXQQIWHKX-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c(cc1OCc1ccccc1)C(=O)O
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:
3.6
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