AG00BFAD

28165-45-9 | Methyl 3-bromo-2-hydroxybenzoate

AG00BFAD

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CAS Number	28165-45-9
Catalog Number	AG00BFAD(AGN-PC-09Z3LJ)
Chemical Name	Methyl 3-bromo-2-hydroxybenzoate
IUPAC Name	methyl 3-bromo-2-hydroxybenzoate
InChI	InChI=1S/C8H7BrO3/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,10H,1H3
InChI Key	WZHOTUVSKJWGMS-UHFFFAOYSA-N
MDL Number	MFCD10566798
Molecular Formula	C8H7BrO3
Molecular Weight	231.0434
SMILES	O=C(OC)C1=CC=CC(Br)=C1O
Synonyms	Methyl 3-bromo-2-hydroxybenzoate, 28165-45-9, methyl 3-bromosalicylate, SCHEMBL8852644, Methyl3-bromo-2-hydroxybenzoate, KS-00000RKS, DTXSID90706842, WZHOTUVSKJWGMS-UHFFFAOYSA-N, MFCD10566798, ZINC95496162, AKOS022171758, CM12511, CS-W022823, DS-2991, MP-1001, AK136127, CJ-22725, SC-69051, AB0058625, AJ-132706, ST2419545, 4CH-012526, Z4542, C8H7BrO3,

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

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

Lot Number