AG00C6NX

31786-45-5 | 2-Bromo-6-Methoxybenzoic Acid

AG00C6NX

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CAS Number	31786-45-5
Catalog Number	AG00C6NX(AGN-PC-0NG6C1)
Chemical Name	2-Bromo-6-Methoxybenzoic Acid
IUPAC Name	2-bromo-6-methoxybenzoic acid
InChI	InChI=1S/C8H7BrO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key	BNYFDICJYCBPRW-UHFFFAOYSA-N
MDL Number	MFCD00800732
Molecular Formula	C8H7BrO3
Molecular Weight	231.0434
SMILES	COc1cccc(c1C(=O)O)Br
Synonyms	2-BROMO-6-METHOXYBENZOIC ACID, 31786-45-5, 2-Bromo-6-methoxybenzoicacid, Benzoic acid, 2-bromo-6-methoxy-, MFCD00800732, PubChem11265, ACMC-209hoz, KSC494Q5T, SCHEMBL1717361, CTK3J4859, DTXSID40455858, BNYFDICJYCBPRW-UHFFFAOYSA-N, ACT12152, ANW-27201, BBL101156, CL8031, FC1075, STL554952, ZINC38272350, AKOS005257434, CM12522, CS-W007547, FS-3045, RP27924, RP27929, RTR-013452, KS-0000027G, TRA-0184463, AC-26008, AJ-94876, AK-34652, BC003591, BR-34652, SC-47499, SY046604, AB0024162, DB-006024, ST2416612, TR-013452, 4CH-015051, A5735, AM20050383, BB 0260398, FT-0080180, FT-0600098, W5370, MFCD00800732 (97%), S-2205, J-508475, I01-12662, C8H7BrO3, 2-bromo-6-methoxy-benzoic Acid, CID11117881,

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	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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