AG00CITT

38692-72-7 | 5-Bromo-2-hydroxyphenylacetic acid

AG00CITT

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CAS Number	38692-72-7
Catalog Number	AG00CITT(AGN-PC-03KG8Y)
Chemical Name	5-Bromo-2-hydroxyphenylacetic acid
IUPAC Name	2-(5-bromo-2-hydroxyphenyl)acetic acid
InChI	InChI=1S/C8H7BrO3/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,10H,4H2,(H,11,12)
InChI Key	SKGHTMGJWQZJEI-UHFFFAOYSA-N
MDL Number	MFCD16620636
Molecular Formula	C8H7BrO3
Molecular Weight	231.0434
SMILES	O=C(O)CC1=CC(Br)=CC=C1O
Synonyms	2-(5-Bromo-2-hydroxyphenyl)acetic acid, 38692-72-7, 5-Bromo-2-hydroxyphenylacetic acid, AK-79903, SCHEMBL5091374, CTK8B6337, DTXSID10622479, SKGHTMGJWQZJEI-UHFFFAOYSA-N, ACT09051, KS-00000HS7, 2-hydroxy-5-bromo-phenylacetic acid, 5006AB, 5007AB, ANW-53306, CL8798, MFCD16620636, ZINC66325507, (5-Bromo-2-hydroxyphenyl)acetic acid, AKOS015890464, AM84029, FCH1346138, OR53099, ACM38692727, AS-10306, AJ-115987, AX8160660, DB-011412, TC-142051, CS-0060200, FT-0731777, ST24027574, (5-Bromo-2-hydroxyphenyl)acetic acid, AldrichCPR, I01-6636, C8H7BrO3, C10H9NO2, 2-(5-Bromo-2-hydroxyphenyl)aceticacid, 2-hydroxy-1-(1H-indol-5-yl)ethanone, 38693-06-0,

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	2
Isotope Atom Count	0
Molecular Weight	231.045g/mol
Monoisotopic Mass	229.958g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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