AG00C0I9

36194-82-8 | 5-Bromo-2-hydroxy-3-methylbenzenecarboxylic acid

AG00C0I9

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CAS Number	36194-82-8
Catalog Number	AG00C0I9(AGN-PC-0KKQ67)
Chemical Name	5-Bromo-2-hydroxy-3-methylbenzenecarboxylic acid
IUPAC Name	5-bromo-2-hydroxy-3-methylbenzoic acid
InChI	InChI=1S/C8H7BrO3/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3,10H,1H3,(H,11,12)
InChI Key	YMYKOYICVWKQFQ-UHFFFAOYSA-N
MDL Number	MFCD00093269
Molecular Formula	C8H7BrO3
Molecular Weight	231.0434
SMILES	CC1=CC(Br)=CC(C(O)=O)=C1O
Synonyms	5-bromo-2-hydroxy-3-methylbenzoic acid, 36194-82-8, 5-Bromo-2-hydroxy-3-methylbenzenecarboxylic acid, 5-Bromo-3-methylsalicylic acid, 5-bromo-2-hydroxy-3-methyl-benzoic Acid, 5-BROMO-2-HYDROXY-3-METHYLBENZENECARBOXYLICACID, 5-Bromo-2-hydroxy-m-toluic acid, Benzoic acid,5-bromo-2-hydroxy-3-methyl-, PubChem4713, AC1MC9NV, SCHEMBL2468352, CTK4H6062, DTXSID30377414, YMYKOYICVWKQFQ-UHFFFAOYSA-N, ZERENEX E/9102897, ZINC400040, ACT12148, 4574AB, ANW-56121, BBL035884, bromohydroxymethylbenzenecarboxylicacid, MFCD00093269, SBB097694, STL444385, AKOS000114380, MCULE-1308586116, RP13273, VZ30110, AC-26007, AJ-21766, AK-34844, BC002813, SC-62496, DB-010072, TR-014871, BB 0244001, Benzoic acid, 5-bromo-2-hydroxy-3-methyl-, FT-0639305, ST24044436, KS-00002048, A20184, 7Y-0800, J-516940, I01-12794, 5-bromo-2-hydroxy-3-methylbenzenecarboxylic acid, AldrichCPR, C8H7BrO3, CID2764345,

Complexity	183
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	2
Isotope Atom Count	0
Molecular Weight	231.045g/mol
Monoisotopic Mass	229.958g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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