AG00C1B0

220801-66-1 | METHYL 2-(5-BROMO-2-HYDROXYPHENYL) ACETATE

AG00C1B0

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CAS Number	220801-66-1
Catalog Number	AG00C1B0(AGN-PC-0QYNJL)
Chemical Name	METHYL 2-(5-BROMO-2-HYDROXYPHENYL) ACETATE
IUPAC Name	methyl 2-(5-bromo-2-hydroxyphenyl)acetate
InChI	InChI=1S/C9H9BrO3/c1-13-9(12)5-6-4-7(10)2-3-8(6)11/h2-4,11H,5H2,1H3
InChI Key	WDMIWHBNMUBGHF-UHFFFAOYSA-N
MDL Number	MFCD07778484
Molecular Formula	C9H9BrO3
Molecular Weight	245.0700
SMILES	C(C(=O)OC)c1c(O)ccc(c1)Br
Synonyms	Methyl 2-(5-bromo-2-hydroxyphenyl)acetate, 220801-66-1, Methyl 2-(5-bromo-2-hydroxyphenyl) acetate, AK-34169, SCHEMBL2400437, CTK8B6876, DTXSID40443159, WDMIWHBNMUBGHF-UHFFFAOYSA-N, KS-00000GK4, 1184AB, ANW-54704, MFCD07778484, ZINC15042904, AKOS016001249, CS-W022786, FCH1385445, RTC-030183, ACM220801661, AJ-67168, DS-12293, FS000289, SC-65809, AX8138007, DB-007641, 4CH-022587, FT-0080417, FT-0650872, ST24047630, (2-Hydroxy-5-bromophenyl)acetic acid methyl ester, J-014474, 2-(5-Bromo-2-hydroxyphenyl)acetic acid methyl ester, C9H9BrO3, Methyl 5-bromo-2-hydroxyphenylacetate, CID10657986, Methyl 2-(5-bromo-2-hydroxy-phenyl)acetate,

Complexity	184
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	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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