AG003J2A

7697-26-9 | 3-Bromo-4-Methylbenzoicacid

AG003J2A

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CAS Number	7697-26-9
Catalog Number	AG003J2A(AGN-PC-0JLTPD)
Chemical Name	3-Bromo-4-Methylbenzoicacid
EC Number	231-712-1
IUPAC Name	3-bromo-4-methylbenzoic acid
InChI	InChI=1S/C8H7BrO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
InChI Key	ZFJOMUKPDWNRFI-UHFFFAOYSA-N
MDL Number	MFCD00002488
Molecular Formula	C8H7BrO2
Molecular Weight	215.0440
NSC Number	243715
SMILES	O=C(O)c1ccc(c(c1)Br)C
Synonyms	3-Bromo-4-methylbenzoic acid, 7697-26-9, 3-Bromo-4-methylbenzoicacid, 3-Bromo-p-toluic Acid, Benzoic acid, 3-bromo-4-methyl-, 3-Bromo-4-Methyl-Benzoic Acid, ZFJOMUKPDWNRFI-UHFFFAOYSA-N, MFCD00002488, 3-Bromo-4-methylbenzoic acid, 98%, bromo-p-toluic acid, EINECS 231-712-1, NSC243715, PubChem3806, bromo-para-toluic acid, AC1Q2LRW, AC1Q2D3D, 3-bromo4-methylbenzoic acid, ACMC-1BG95, AKOS BBB/219, KSC380K6D, SCHEMBL154862, 3-Bromo-4-methyl benzoic acid, AC1L32T7, ARONIS000494, Benzoicacid, 3-bromo-4-methyl-, CTK2I0561, ZINC38386, DTXSID60227751, 3-bromanyl-4-methyl-benzoic acid, ATTERCOP-CHM AT112203, OTAVA-BB 1909541, ACN-S004296, ACT07916, BCP24534, KS-00000CO4, KS-00003U6E, STR05274, ANW-36926, SBB064706, STK053805, AKOS000319488, AC-7748, AN-8687, AS02482, CB-2315, CM12535, CS-W007779, LS10330, MCULE-1574536609, NSC-243715, RP04944, RP26859, RTC-067193, TRA0019496, AJ-08781, AK-36339, BC002611, BC203701, BR-36339, SC-06718, ST054414, AB0019734, DB-022353, ST2417532, TC-067193, A9753, AM20060119, B3049, FT-0615248, V0201, B-3842, 697B269, A840107, I01-5507, J-511939, 3-Bromo-4-methylbenzoic acid, technical grade, 85%, Z57204180, qvr ce d1, 2-Bromo-p-toluic Acid, C8H7BrO2, C8-H7-Br-O2, CID82130, AR-1L3009, ACN-035968, 3-Bromo-4-methylbenzoic acid, 98% 5g, 3-Bromo-4-methylbenzoic acid, 97% - 5G 5g, 813-44-5,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.963g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	215.046g/mol
Monoisotopic Mass	213.963g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number