AG002LIG

22921-68-2 | Benzoic acid, 2-bromo-5-methoxy-

AG002LIG

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CAS Number	22921-68-2
Catalog Number	AG002LIG(AGN-PC-0JLYAW)
Chemical Name	Benzoic acid, 2-bromo-5-methoxy-
EC Number	245-329-2
IUPAC Name	2-bromo-5-methoxybenzoic acid
InChI	InChI=1S/C8H7BrO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key	ODHJOROUCITYNF-UHFFFAOYSA-N
MDL Number	MFCD00020214
Molecular Formula	C8H7BrO3
Molecular Weight	231.0434
SMILES	BrC1=C(C(=O)O)C=C(C=C1)OC
Synonyms	2-Bromo-5-methoxybenzoic acid, 22921-68-2, 6-Bromo-m-anisic acid, Benzoic acid, 2-bromo-5-methoxy-, 2-Bromo-5-methoxybenzoicacid, 5-Methoxy-2-bromobenzoic acid, MFCD00020214, 2-bromo-5-methoxy-benzoic acid, EINECS 245-329-2, PubChem2674, AC1L3IUO, AC1Q5TSF, ACMC-1CLK6, KSC205K0L, SCHEMBL227238, AC1Q486Q, AC1Q49H7, Jsp004623, RARECHEM AL BE 1111, 2-bromo-5-methoxy benzoic acid, CTK1A5505, KS-00000CBF, 4-BROMO-3-CARBOXYANISOLE, DTXSID80177466, ATTERCOP-CHM AT112209, ODHJOROUCITYNF-UHFFFAOYSA-N, ZINC164386, 2-bromo-5-(methyloxy)benzoic acid, ACT00727, STR03486, ANW-24992, CB-703, CL8029, SBB063335, 2-Bromo-5-methoxybenzoic acid, 97%, 2-Bromo-5-methoxybenzoic acid, 98%, 6-BROMO-3-METHOXYBENZOIC ACID, AKOS000120615, AC-2588, AS03391, CS-W012953, FS-3346, MCULE-6518252552, RTR-010725, TRA0064430, VZ24026, AJ-16132, AK-34235, AN-13814, BC002325, BR-34235, SC-02642, SY002265, AB0023585, AB1003403, DB-002044, ST2416594, TL8001916, TR-010725, A4866, AM20050234, B3846, FT-0621001, ST45029636, W4665, MFCD00020214 (98%), M-5351, AJ-333/09217059, I01-1343, J-014903, F2190-0006, Z220533930, InChI=1/C8H7BrO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11, C8H7BrO3, C8-H7-Br-O3, CID89906, AR-1D9537, 2-Bromo-5-methoxybenzoic acid, 98% - 25G 25g, 1196147-56-4, 221313-10-6, 23513-91-9,

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 statements	H302-H315-H319-H332-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number