AG0033Y5

586-76-5 | 4-Bromobenzoic Acid

AG0033Y5

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CAS Number	586-76-5
Catalog Number	AG0033Y5(AGN-PC-0CBYS4)
Chemical Name	4-Bromobenzoic Acid
EC Number	209-581-7
IUPAC Name	4-bromobenzoic acid
InChI	InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChI Key	TUXYZHVUPGXXQG-UHFFFAOYSA-N
MDL Number	MFCD01863784
Molecular Formula	C7H5BrO2
Molecular Weight	201.0174
NSC Number	17582
SMILES	O=C(O)c1ccc(cc1)Br
UNII	6992P6102O
Synonyms	4-Bromobenzoic acid, 586-76-5, P-BROMOBENZOIC ACID, Benzoic acid, 4-bromo-, p-Carboxybromobenzene, Benzoic acid, p-bromo-, p-Bromobenzenecarboxylic acid, 4-Bromo-benzoic acid, Para Bromo Benzoic Acid, 4-Brom-benzoesaeure, 4-carboxybromobenzene, UNII-6992P6102O, EINECS 209-581-7, MFCD00002529, NSC 17582, BRN 1906923, AI3-08859, CHEBI:60698, OTAVA-BB 1312865, TUXYZHVUPGXXQG-UHFFFAOYSA-N, 6992P6102O, 4-Bromobenzoic acid, 97%, Z82, 4Bromo-benzoic acid, 4-brom-benzoic acid, 4- bromobenzoic acid, PubChem3741, 4-Bromo benzoic acid, ACMC-1ALBF, AC1L1XES, 4-Bromobenzoic acid (1), 4-Bromophenylcarboxylic acid, 4-Bromobenzoic acid, 98%, SCHEMBL71380, 4-09-00-01017 (Beilstein Handbook Reference), KSC270I4T, CHEMBL22051, RARECHEM AL BO 0052, DTXSID7060413, CTK1H0449, TIMTEC-BB SBB040519, ZERENEX ZX-OA002292, BDBM239163, ZINC388063, AC1Q7347, ACT01085, EBD31677, KS-000002MT, NSC17582, STR02440, AKOS BBS-00003716, ANW-33010, KM0223, NSC-17582, SBB040519, STK301567, AKOS000118916, AS00815, CS-W020100, MCULE-8812168827, PS-5301, RP25822, RTR-020382, TRA0062507, VZ28587, NCGC00340397-01, AJ-20411, AK-50463, AN-21505, BC002547, BP-31040, BR-50463, LS-36195, SC-05544, SY001067, AB1001938, DB-016057, ST2411230, TR-020382, AM20050209, B0553, FT-0649860, ST45061272, AZ0001-0309, MFCD00002529 (98%), 31517-EP2308858A1, 31517-EP2311816A1, 31517-EP2311817A1, 31517-EP2311826A2, AB00376738-03, 586B765, AE-641/00396064, 4-Bromobenzoic acid, Vetec(TM) reagent grade, 98%, I01-1904, W-105369, Z57127530, F2191-0080, InChI=1/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10, null, p-Bromophenic acid, 4-Bromobenzaldehyde, ParaBromoBenzoicAcid, (4-Bromophenyl)methanol, C7H5BrO2, C7-H5-Br-O2, CID11464, 'LGC' (4008), ACN-056541, 4-Bromobenzoic acid, 99% - 100G 100g, 4-Bromobenzoic Acid 98% for synthesis 10gm, B-5782, 873-75-6,

Complexity	128
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.947g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	201.019g/mol
Monoisotopic Mass	199.947g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number