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27703-53-3 | Benzoic acid, 3,5-dibromo-2,6-dihydroxy-4-methoxy-
CAS No: 27703-53-3 Catalog No: AG002UJ3 MDL No:
Product Description
Catalog Number:
AG002UJ3
Chemical Name:
Benzoic acid, 3,5-dibromo-2,6-dihydroxy-4-methoxy-
CAS Number:
27703-53-3
Molecular Formula:
C8H6Br2O5
Molecular Weight:
341.9382
IUPAC Name:
3,5-dibromo-2,6-dihydroxy-4-methoxybenzoic acid
InChI:
InChI=1S/C8H6Br2O5/c1-15-7-3(9)5(11)2(8(13)14)6(12)4(7)10/h11-12H,1H3,(H,13,14)
InChI Key:
HFBYKBTWFBBSBA-UHFFFAOYSA-N
SMILES:
COc1c(Br)c(O)c(c(c1Br)O)C(=O)O
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.856g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
341.939g/mol
Monoisotopic Mass:
339.858g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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