2-Bromo-6-methoxybenzene-1,4-diol - CAS 61654-67-9

Technical Data

IUPAC Name:	2-bromo-6-methoxybenzene-1,4-diol
Description:	2-Bromo-6-methoxybenzene-1,4-diol is an intermediate in the synthesis of Endophenazine B (E555485), a new phenazine antibiotic isolated from the arthropod associated endosymbiont Streptomyces anulatus and shows antimicrobial activities against Gram-positive bacteria and some filamentous fungi, and herbicidal activity against Lemna minor (duckweed).
Molecular Weight:	219.03
Molecular Formula:	C7H7BrO3
Canonical SMILES:	COC1=C(C(=CC(=C1)O)Br)O
InChI:	InChI=1S/C7H7BrO3/c1-11-6-3-4(9)2-5(8)7(6)10/h2-3,9-10H,1H3
InChI Key:	CMRLMMCGTLUUHA-UHFFFAOYSA-N
Appearance:	Brown Solid
References:	Gebhardt, K., et al. J. Antibiot., 55, 794 (2002).

Complexity:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.95786
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	217.95786
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9