AG003RXI

4068-76-2 | Methyl 5-bromo-2-hydroxybenzoate

AG003RXI

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CAS Number	4068-76-2
Catalog Number	AG003RXI(AGN-PC-0JLQV6)
Chemical Name	Methyl 5-bromo-2-hydroxybenzoate
EC Number	223-776-4
IUPAC Name	methyl 5-bromo-2-hydroxybenzoate
InChI	InChI=1S/C8H7BrO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3
InChI Key	FJYDBKPPGRZSOZ-UHFFFAOYSA-N
MDL Number	MFCD00016460
Molecular Formula	C8H7BrO3
Molecular Weight	231.0434
NSC Number	30264
SMILES	COC(=O)C1=C(O)C=CC(Br)=C1
Synonyms	methyl 5-bromo-2-hydroxybenzoate, Methyl 5-bromosalicylate, 4068-76-2, Benzoic acid, 5-bromo-2-hydroxy-, methyl ester, 5-BROMOSALICYLIC ACID METHYL ESTER, Methyl 5-bromo-2-hydroxybenzenecarboxylate, methyl-5-bromosalicylate, AI3-04028, 5-BROMO-2-HYDROXY-BENZOIC ACID METHYL ESTER, MFCD00016460, METHYL5-BROMOSALICYLATE, EINECS 223-776-4, PubChem19740, ACMC-1AFPQ, AC1L2TL5, AC1Q25MV, AC1Q42RO, ASISCHEM D13384, AKOS BBB/379, AURORA KA-2528, SCHEMBL205635, ARONIS010599, RARECHEM AL BF 0040, Methyl 5-bromosalicylate, 95%, CTK4I3566, TIMTEC-BB SBB002397, DTXSID80193666, JS-078C, BUTTPARK 41\07-02, FJYDBKPPGRZSOZ-UHFFFAOYSA-N, methyl 2-Hydroxy-5-Bromobenzoate, ZINC153741, ALBB-022631, KS-00000BI1, KS-000041XM, methyl 5-bromo-2-hydroxyl-benzoate, NSC30264, ANW-29471, BBL100200, CL8514, GEO-01789, LABOTEST-BB LT00033612, LABOTEST-BB LT00653603, NSC-30264, SBB002397, STK387494, AKOS000295900, AM83252, AS03674, CS-W004768, MCULE-7088444592, RP13275, TRA0072950, OTAVA-BB 0117381020, NCGC00341421-01, AJ-13069, AK-59850, BC004469, CJ-01279, SC-93612, SY008595, ZB005541, AB0058223, AB1008187, DB-070073, TC-066980, FT-0657269, ST24031132, ST45026520, X5281, EN300-60617, Benzoic acid,5-bromo-2-hydroxy-, methyl ester, S-0131, AB01332128-02, MFCD00016460 (95+%), AG-205/05818032, I14-5158, J-522450, Z18523364, F3191-0115, null, C8H7BrO3, C8-H7-Br-O3, CID77683, AR-1H9248, 43042-33-7,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.958g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	231.045g/mol
Monoisotopic Mass	229.958g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number