AG0033MQ

585-76-2 | 3-Bromobenzoic acid

AG0033MQ

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CAS Number	585-76-2
Catalog Number	AG0033MQ(AGN-PC-0JKA1H)
Chemical Name	3-Bromobenzoic acid
EC Number	209-562-3
IUPAC Name	3-bromobenzoic acid
InChI	InChI=1S/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChI Key	VOIZNVUXCQLQHS-UHFFFAOYSA-N
MDL Number	MFCD00002487
Molecular Formula	C7H5BrO2
Molecular Weight	201.0174
SMILES	O=C(O)c1cccc(c1)Br
UNII	7DCT3A73LX
Synonyms	3-BROMOBENZOIC ACID, 585-76-2, m-Bromobenzoic acid, 3-BROMBENZOIC ACID, Benzoic acid, 3-bromo-, 3-Bromo-benzoic acid, Benzoic acid, m-bromo-, UNII-7DCT3A73LX, MFCD00002487, 7DCT3A73LX, 3-BROMO BENZENE ACID, VOIZNVUXCQLQHS-UHFFFAOYSA-N, 3-Bromobenzoic acid, 99%, NSC 3980, 3-Bromobenzoicacid, 4-Fluorobenzoicacid, 5-bromobenzoic acid, EINECS 209-562-3, NSC 32739, meta bromobenzoic acid, PubChem3740, AI3-08854, ACMC-209m5n, AC1L1XE4, AC1Q72YO, SCHEMBL5023, 3-Bromobenzoic acid, 98%, M-CARBOXYBENZYLBROMIDE, NCIOpen2_009262, 3-BROMO BENZOIC ACID, 3-Bromobenzenecarboxylic acid, 3-bromophenyl carboxylic acid, BENZOIC ACID,2-BROMO, META-BROMOBENZOIC ACID, KSC271O6P, CHEMBL63399, RARECHEM AL BO 0037, DTXSID8060408, Benzoic acid, m-bromo- (8CI), CTK1H1767, NSC3980, ZINC404749, ACN-S004043, EBD27655, KS-000002OR, NSC-3980, NSC32739, ANW-32985, BBL025793, LABOTEST-BB LT01143269, LABOTEST-BB LT03331369, NSC 83519, NSC-32739, SBB058408, STL377873, AKOS000119769, AM81264, AS01127, CS-W019787, LF10862, MCULE-8805391978, PS-5402, RL04207, RP25823, RTR-020353, TRA0027210, NCGC00246888-01, NCGC00246888-02, AJ-22410, AK-77039, AN-46117, BC002546, SC-05536, SY001482, TL806158, AB1003659, DB-024150, ST2410579, TR-020353, B0551, FT-0607488, FT-0615203, ST50319447, MFCD00002487 (98%), A23766, M-6382, 31513-EP2308858A1, 31513-EP2311816A1, 31513-EP2311817A1, 31513-EP2311830A1, AB00973544-04, 585B762, J-511779, S01-0184, W-105382, F2191-0078, InChI=1/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10, null, C7H5BrO2, 3-BROMOBENZONITRILE, m-CARBOXYBENZYL BROMIDE, 2-Chloro-5-fluorobenzoic acid, 5-Fluoro-2-chlorobenzoic acid, C7-H5-Br-O2, BUTTPARK 19\01-68, CID11456, 3-Bromobenzoic acid, 99% - 100G 100g, 456-22-4, 6952-59-6,

Complexity	136
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number