AG0033XR

153556-42-4 | 4-Bromo-3-fluorobenzoic acid

AG0033XR

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CAS Number	153556-42-4
Catalog Number	AG0033XR(AGN-PC-0KKVD7)
Chemical Name	4-Bromo-3-fluorobenzoic acid
IUPAC Name	4-bromo-3-fluorobenzoic acid
InChI	InChI=1S/C7H4BrFO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChI Key	RMYOGXPGIDWJLU-UHFFFAOYSA-N
MDL Number	MFCD00672932
Molecular Formula	C7H4BrFO2
Molecular Weight	219.0079
SMILES	O=C(O)c1ccc(c(F)c1)Br
Synonyms	4-BROMO-3-FLUOROBENZOIC ACID, 153556-42-4, Benzoic acid, 4-bromo-3-fluoro-, 3-fluoro-4-bromobenzoic acid, MFCD00672932, 4-bromo-3-fluoro-benzoic Acid, PubChem1316, AC1MCMT2, Intermediates-ZCF02169, ACMC-1C1H6, KSC497G7P, SCHEMBL286942, 4-bromo-3-fluoro benzoic acid, AC1Q730L, CTK3J7377, KS-00000CLT, DTXSID70378389, RMYOGXPGIDWJLU-UHFFFAOYSA-N, ACT09735, BCP24582, EBD15074, ZINC2567814, ANW-21458, CB-145, SBB063378, AKOS005257999, AB06858, AC-3911, AS00972, CM12500, CS-W002663, MCULE-6147391279, PS-7893, RL01963, RTR-032881, TRA0021302, VZ28525, AJ-41477, AK-50383, BR-50383, SC-01320, SY008839, 4-Bromo-3-fluorobenzoic acid, AldrichCPR, AB0011863, DB-006711, ST2418166, ST2418192, TL8001146, TR-032881, AM20060107, FT-0601251, ST50408674, EN300-52692, B-2218, MFCD00672932 (97+%), I01-1476, J-009025, J-514720, Z1245635765, C7H4BrFO2, 4-Bromo-3-fluorobenzoicacid, 2-Fluoro-5-nitrobenzonitrile, 4-Bromo-2-fluorobenzoic acid, BUTTPARK 20\01-57, 3-FLUORO-4-BROMO BENZOIC ACID, ACN-053252, CID2773341, (2S)-2-((4-(((2,7-Dimethyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl)(prop-2-ynyl)amino)-2-fluorobenzoyl)amino)-4-(1H-tetrazol-5-yl)butanoic acid, 112704-79-7, 179232-29-2,

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	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number