AG003KYC

7697-28-1 | 4-BROMO-3-METHYLBENZOIC ACID

AG003KYC

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CAS Number	7697-28-1
Catalog Number	AG003KYC(AGN-PC-0JLTPE)
Chemical Name	4-BROMO-3-METHYLBENZOIC ACID
EC Number	231-713-7
IUPAC Name	4-bromo-3-methylbenzoic acid
InChI	InChI=1S/C8H7BrO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11)
InChI Key	KWVXDZLVCISXIB-UHFFFAOYSA-N
MDL Number	MFCD00039526
Molecular Formula	C8H7BrO2
Molecular Weight	215.0440
SMILES	O=C(O)C1=CC=C(Br)C(C)=C1
Synonyms	4-Bromo-3-methylbenzoic acid, 7697-28-1, 4-Bromo-m-toluic Acid, 4-Bromo-3-methyl-benzoic acid, 4-Bromo-3-methylbenzoicacid, 3-METHYL-4-BROMOBENZOIC ACID, 4-Bromo-3-methyl benzoic acid, BENZOIC ACID, 4-BROMO-3-METHYL-, MFCD00039526, 4-Bromo-3-methylbenzoic acid, 97%, EINECS 231-713-7, PubChem3807, AC1L32TA, AC1Q2D3Q, 4bromo-3-methylbenzoic acid, 4-bromo-5-methylbenzoic acid, KSC379G0B, SCHEMBL141936, ACMC-209p76, RARECHEM AL BO 1293, CTK2H9300, KS-00000CGW, DTXSID20227752, EBD3388, KWVXDZLVCISXIB-UHFFFAOYSA-N, ZINC403510, AC1Q2609, ACN-S004162, ACT08090, BCP24563, STR06302, ANW-36928, SBB063174, 4-bromo-3-methylbenzenecarboxylic acid, AKOS000298678, AC-3917, AS02483, CB-1033, CS-W002178, MCULE-1610851866, PS-7946, RP04945, RTR-024631, TF10354, TRA0033169, AJ-22140, AK-26325, AN-12470, BC002612, BP-10001, BR-26325, SC-06720, SY005296, AB0012477, AB1001870, DB-005338, ST2411204, TL8005288, TR-024631, AM20060120, B3113, FT-0600920, ST50408563, B-3866, MFCD00039526 (97+%), 697B281, I01-0705, W-104331, Z1696832265, C8H7BrO2, C8-H7-Br-O2, Acide bromo-4-methyl-3-benzoique, CID82131, AR-1G1227, ACN-040586, A15957, 4-Bromo-3-methylbenzoic acid, 98% - 25G 25g, 81346-83-0,

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	3.1

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