AG003ML1

106120-04-1 | 5-Bromobenzene-1,3-diol

AG003ML1

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CAS Number	106120-04-1
Catalog Number	AG003ML1(AGN-PC-0JSULR)
Chemical Name	5-Bromobenzene-1,3-diol
IUPAC Name	5-bromobenzene-1,3-diol
InChI	InChI=1S/C6H5BrO2/c7-4-1-5(8)3-6(9)2-4/h1-3,8-9H
InChI Key	HYHHGFFTWSYNMV-UHFFFAOYSA-N
MDL Number	MFCD16293393
Molecular Formula	C6H5BrO2
Molecular Weight	189.0067
SMILES	BrC=1C=C(C=C(C1)O)O
Synonyms	5-bromobenzene-1,3-diol, 106120-04-1, 5-Bromoresorcinol, 3,5-Dihydroxybromobenzene, 5-Bromo-benzene-1,3-diol, 1,3-Benzenediol, 5-bromo-, 5-Bromo-1,3-benzenediol, 1-Bromo-3,5-dihydroxybenzene, 5-Bromoresorcino, 1,3-dihydroxy-5-bromobenzene, HYHHGFFTWSYNMV-UHFFFAOYSA-N, AK-89576, 3,5-Dihydroxybromobobenze, ACMC-1BVGV, 3-hydroxy-5-bromophenol, AC1LBG5W, 1,3-Benzenediol,5-bromo-, 5-bromanylbenzene-1,3-diol, SCHEMBL69898, 5-Bromo-1,3-benzenediol #, 5-Bromo-1,3-dihydroxybenzene, AC1Q25W1, CTK4A4410, DTXSID50339630, KS-000009DS, ANW-15312, MFCD16293393, ZINC32226354, AKOS015950883, AC-7453, AN-9006, AS05459, CM11666, FCH1167993, AJ-85091, DS-16552, SY029153, AB1005904, AX8167608, DB-011444, TC-063169, B3731, FT-0704819, MFCD16293393 (95%), 3,5-Dihydroxybromobenzene (Require1H-NMR>95%), 120D041, A801427, InChI=1/C6H5BrO2/c7-4-1-5(8)3-6(9)2-4/h1-3,8-9, AR-1G7506, CID557383, 106-37-6,

Complexity	87.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.947g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	189.008g/mol
Monoisotopic Mass	187.947g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319
Precuationary statements	P261-P305+P351+P338
Siginal words	unknown

Certificate of Analysis

Lot Number