AG003RXC

39503-57-6 | Methyl 5-bromo-2-hydroxy-4-methylbenzoate

AG003RXC

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CAS Number	39503-57-6
Catalog Number	AG003RXC(AGN-PC-008UM8)
Chemical Name	Methyl 5-bromo-2-hydroxy-4-methylbenzoate
IUPAC Name	methyl 5-bromo-2-hydroxy-4-methylbenzoate
InChI	InChI=1S/C9H9BrO3/c1-5-3-8(11)6(4-7(5)10)9(12)13-2/h3-4,11H,1-2H3
InChI Key	DEMKAVJRIYGNEQ-UHFFFAOYSA-N
MDL Number	MFCD11045602
Molecular Formula	C9H9BrO3
Molecular Weight	245.0700
SMILES	BrC=1C(=CC(=C(C(=O)OC)C1)O)C
Synonyms	methyl 5-bromo-2-hydroxy-4-methylbenzoate, 39503-57-6, Benzoic acid, 5-bromo-2-hydroxy-4-methyl-, methyl ester, AK-82138, SCHEMBL168324, CTK8C2104, DTXSID80465491, DEMKAVJRIYGNEQ-UHFFFAOYSA-N, 5168AB, ANW-67807, MFCD11045602, ZINC34546981, AKOS015852196, FCH1401931, TRA0070368, ACM39503576, AJ-89234, CJ-18459, DS-16514, AB0058210, AX8236839, DB-069821, TC-067047, 5-Bromo-4-methylsalicylic acid methyl ester, CS-0091636, FT-0651937, methyl 5-bromanyl-4-methyl-2-oxidanyl-benzoate, S-0207, A824579, 5-bromo-2-hydroxy-4-methylbenzoic acid methyl ester, I14-5151, 5-Bromo-2-hydroxy-4-methyl-benzoic acid methyl ester, C9H9BrO3, 2-[2-(2-fluoroethoxy)ethoxy]ethanol, ACN-031341, CID11425090, Methyl 5-bromo-2-hydroxy-4-methyl-benzoate,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.974g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	245.072g/mol
Monoisotopic Mass	243.974g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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