AG002PCZ

2476-35-9 | Benzoic acid, 5-bromo-2-methoxy-

AG002PCZ

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CAS Number	2476-35-9
Catalog Number	AG002PCZ(AGN-PC-0JXIDV)
Chemical Name	Benzoic acid, 5-bromo-2-methoxy-
IUPAC Name	5-bromo-2-methoxybenzoic acid
InChI	InChI=1S/C8H7BrO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key	JFDUXZIRWBYBAQ-UHFFFAOYSA-N
MDL Number	MFCD00093713
Molecular Formula	C8H7BrO3
Molecular Weight	231.0434
SMILES	O=C(O)C1=CC(Br)=CC=C1OC
Synonyms	5-bromo-2-methoxybenzoic acid, 2476-35-9, 2-Methoxy-5-bromobenzoic acid, 5-bromo-2-methoxy-benzoic acid, BENZOIC ACID, 5-BROMO-2-METHOXY-, 5-Bromo-o-anisic acid, SMR000070914, ACMC-1CLHS, AC1LH4RL, AC1Q4FEN, AKOS BB506, ASISCHEM Y08619, AKOS BBB/391, AURORA KA-1893, KSC494Q2B, MLS000099192, 3-bromo-6-methoxybenzoic acid, AKOS BB-8176, ARONIS023383, SCHEMBL1221627, RARECHEM AL BE 0053, CHEMBL2134682, CTK3J4820, TIMTEC-BB SBB023085, DTXSID40358219, AKOS B025214, JFDUXZIRWBYBAQ-UHFFFAOYSA-N, ZERENEX E/9071270, ART-CHEM-BB B025214, HMS1587O06, HMS2331G11, ACT12156, ALBB-023276, BCP26471, KS-00000J5Y, ZINC3957244, ANW-25530, BBL023200, MFCD00093713, SBB023085, STK070539, TD1165, WT1617, 5-Bromo-2-methoxybenzoic acid, 97%, AKOS000103612, AS03394, CB-2030, CS-W008181, FS-3546, MCULE-8260284189, RP27926, RP27930, RTR-048149, TRA0036375, OTAVA-BB 7020673053, AC-23735, AJ-47512, AK-24341, AN-50978, BC002327, BC676168, EN001994, SC-02856, AB0000855, DB-014133, TL8007338, TR-048149, 2476-35-9 5-Bromo-2-methoxybenzoic acid, 4CH-009781, AM20040007, B4741, BB 0217615, FT-0612801, ST24029375, ST45026548, W4815, EN300-81876, KS-00004682, S-1088, SR-01000233921, I01-5355, J-516956, SR-01000233921-1, Z57915930, 2-Methoxyidazoxan, C8H7BrO3, 5-Bromo-2-methoxybenzoicacid, AR-1G7404, CID881739, ACN-031333, RX-821002, 2-(2,3-Dihydro-2-methoxy-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole, 24928-15-2,

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	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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