AG003J22

99-58-1 | 3-Bromo-4-methoxybenzoic acid

AG003J22

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CAS Number	99-58-1
Catalog Number	AG003J22(AGN-PC-0JL7FG)
Chemical Name	3-Bromo-4-methoxybenzoic acid
EC Number	202-768-4
IUPAC Name	3-bromo-4-methoxybenzoic acid
InChI	InChI=1S/C8H7BrO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)
InChI Key	BBPZABXVRBFWGD-UHFFFAOYSA-N
MDL Number	MFCD00020295
Molecular Formula	C8H7BrO3
Molecular Weight	231.0434
SMILES	COC1=C(Br)C=C(C=C1)C(O)=O
Synonyms	3-Bromo-4-methoxybenzoic acid, 99-58-1, 3-Bromo-p-anisic acid, BENZOIC ACID, 3-BROMO-4-METHOXY-, 3-BROMO-4-METHOXYBENZOICACID, MFCD00020295, AKOS BBB/210, RARECHEM AL BO 0751, TIMTEC-BB SBB009955, AKOS 211-11, TimTec1_006528, 3-Bromanissaure, EINECS 202-768-4, PubChem2675, 2-Bromo-4-carboxyanisole, ACMC-209sd7, AC1Q25UF, AC1Q44LA, AC1Q4C2S, 3-bromo-2-methoxybenzoicacid, 3-bromo4-methoxybenzoic acid, KSC495C4L, AC1L269Q, ARONIS006936, 3-bromo-4-methoxy-benzoic acid, 3-bromo-p-anisic acid, 98+%, CTK3J5145, DTXSID00243930, ATTERCOP-CHM AT118935, BBPZABXVRBFWGD-UHFFFAOYSA-N, HMS1552I16, ZINC156527, 3-bromo-4-(methyloxy)benzoic acid, ACT12153, EBD39431, KS-00000CS4, KS-00003Z4K, ANW-41033, BBL035995, CB-537, SBB009955, STL062218, 3-Bromo-4-methoxybenzoic acid, 96%, AKOS000111369, 3-bromo-4-methoxybenzoic acid, 98+%, AB01268, AM83030, AS03392, CS-W002124, MCULE-3344748554, RTC-067199, TRA0092212, VZ26445, 4-METHOXY-3-BROMO BENZOIC ACID, OTAVA-BB 7118292341, NCGC00341298-01, AC-26009, AJ-13831, AK-37016, BC002326, SC-04520, ST058449, SY017827, TS-03286, AB1003010, DB-011143, ST2417529, TC-067199, B3336, BB 0221127, C3350, FT-0615233, X8049, A-2681, AB01331707-02, MFCD00020295 (97+%), AE-641/00128055, I01-0348, I01-5999, 2-Hydroxy-5-nitroaniline; 3-Amino-4-hydroxynitrobenzene, 3-BROMOANISIC ACID, C8H7BrO3, 2-Hydroxy-5-nitroaniline, 3-brom-4-methoxybenzoesyre, 3-Amino-4-hydroxynitrobenzene, C8-H7-Br-O3, 3-Bromo-2-methoxy-benzoic acid, CID66836, AR-1F2250, ACN-050591, A11577, 3-Bromo-4-methoxybenzoic acid, 98% - 25G 25g, 101084-39-3, 60819-41-2,

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	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number