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143883-73-2 | Benzoic acid, 2-bromo-3,4-dihydroxy-5-methoxy-
CAS No: 143883-73-2 Catalog No: AG001IKJ MDL No:
Product Description
Catalog Number:
AG001IKJ
Chemical Name:
Benzoic acid, 2-bromo-3,4-dihydroxy-5-methoxy-
CAS Number:
143883-73-2
Molecular Formula:
C8H7BrO5
Molecular Weight:
263.0422
IUPAC Name:
2-bromo-3,4-dihydroxy-5-methoxybenzoic acid
InChI:
InChI=1S/C8H7BrO5/c1-14-4-2-3(8(12)13)5(9)7(11)6(4)10/h2,10-11H,1H3,(H,12,13)
InChI Key:
FKXVJJUTKUVGFG-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)O)c(c(c1O)O)Br
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.948g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
263.043g/mol
Monoisotopic Mass:
261.948g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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