AG0033XE

112704-79-7 | 4-Bromo-2-fluorobenzoic acid

AG0033XE

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CAS Number	112704-79-7
Catalog Number	AG0033XE(AGN-PC-0JON9E)
Chemical Name	4-Bromo-2-fluorobenzoic acid
IUPAC Name	4-bromo-2-fluorobenzoic acid
InChI	InChI=1S/C7H4BrFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChI Key	ZQQSRVPOAHYHEL-UHFFFAOYSA-N
MDL Number	MFCD00143263
Molecular Formula	C7H4BrFO2
Molecular Weight	219.0079
NSC Number	190364
SMILES	BrC1=CC(=C(C(=O)O)C=C1)F
Synonyms	4-Bromo-2-fluorobenzoic acid, 112704-79-7, 2-Fluoro-4-bromobenzoic acid, 4-Bromo-2-fluoro-benzoic acid, 4-Bromo-2-fluorobenzoicacid, Benzoic acid, 4-bromo-2-fluoro-, ZQQSRVPOAHYHEL-UHFFFAOYSA-N, MFCD00143263, NSC190364, PubChem1313, Enzalutamide Impurity A, ACMC-1BTMF, AC1Q72AZ, 2-fluro-4-bromobenzoic acid, KSC174M4P, SCHEMBL156346, AC1L711V, Jsp000980, RARECHEM AL BO 0754, CTK0H4647, ZQQSRVPOAHYHEL-UHFFFAOYSA-, DTXSID60307209, BUTTPARK 18\02-86, WT883, ACT00334, BCP13399, CS-M3187, KS-000001KI, ZINC1081497, ANW-16513, CB-033, EBD581141, SBB063037, 4-Bromo-2-fluorobenzoic acid, 97%, 4-bromo-2-fluorobenzenecarboxylic acid, AKOS001274724, AB03858, AC-1417, AF10061, AN-1824, AS03290, CM12499, LS10691, MCULE-4311334604, NSC-190364, PS-7898, RP27151, RTR-002466, TRA0084416, NCGC00337423-01, AJ-24976, AK-45932, B143, BC002141, BC206179, BP-11293, BR-45932, SC-00400, SY001099, TL806205, AB0011853, DB-023698, TR-002466, AM20061094, FT-0617773, ST50307856, EN300-21728, 112704-79-7 4-bromo-2-fluorobenzoic acid, A-5762, 99166-EP2272817A1, 99166-EP2301928A1, AB01330559-02, MFCD00143263 (97+%), 704B797, I01-0162, J-002820, J-514650, Z208331654, InChI=1/C7H4BrFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11), C7H4BrFO2, BUTTPARK 20\01-57, CID302681, 4-BROMO-3-FLUOROBENZOIC ACID, 3-FLUORO-4-BROMO BENZOIC ACID, ACN-050598, 4-Bromo-2-fluorobenzoic acid, 98% 5g, B1950, 4-Bromo-2-fluorobenzoic acid, 99% - 1G 1g, 2252-50-8,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.938g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	219.009g/mol
Monoisotopic Mass	217.938g/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 statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words	normal

Certificate of Analysis

Lot Number