AG0013EC

137504-86-0 | Boronic acid, B-(4-chloro-3-fluorophenyl)-

AG0013EC

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CAS Number	137504-86-0
Catalog Number	AG0013EC(AGN-PC-0KKZ1G)
Chemical Name	Boronic acid, B-(4-chloro-3-fluorophenyl)-
IUPAC Name	(4-chloro-3-fluorophenyl)boronic acid
InChI	InChI=1S/C6H5BClFO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H
InChI Key	CMJQIHGBUKZEHP-UHFFFAOYSA-N
MDL Number	MFCD01319010
Molecular Formula	C6H5BClFO2
Molecular Weight	174.3651
SMILES	Fc1cc(ccc1Cl)B(O)O
Synonyms	4-Chloro-3-fluorophenylboronic acid, 137504-86-0, (4-chloro-3-fluorophenyl)boronic acid, 4-Chloro-3-fluorobenzeneboronic acid, 3-FLUORO-4-CHLOROPHENYLBORONIC ACID, MFCD01319010, (4-chloro-3-fluoro-phenyl)boronic Acid, Boronic acid, (4-chloro-3-fluorophenyl)-, 4-Chloro-3-fluorobenzeneboronicacid, PubChem1776, AC1MCTRP, KSC174K0R, SCHEMBL310780, AC1Q715B, ACMC-1C195, CTK0H4508, KS-00000APX, DTXSID70381055, CMJQIHGBUKZEHP-UHFFFAOYSA-N, 4-chloro3-fluorophenylboronic acid, 4-Chloro-3-fluorophenylboronicAcid, 4-chloro-3-flurophenylboronic acid, ACT04734, CS-D1011, ANW-20278, BBL020583, SBB052534, STK893272, 4-chloro-3-fluoro-phenylboronic acid, 4-Chloro-3-Fluorophenyl-Boronic Acid, AKOS000285050, ZINC169743972, AB08827, AC-5394, ACN-032811, C2276G1, GS-6724, LS11032, MCULE-5585608011, RL01655, RP08732, RTC-068477, TRA0054526, AK-33192, AN-11020, B-(4-Chloro-3-fluorophenyl)boronic acid, BC000875, SC-58143, SY008151, B-(4-chloro-3-fluorophenyl)-boronic acid, AB0005086, AB1004754, DB-028804, ST2402417, TC-068477, TL8000867, A2962, FT-0643268, Boronic acid, B-(4-chloro-3-fluorophenyl)-, B-3071, 4-Chloro-3-fluorophenylboronic acid, AldrichCPR, MFCD01319010 (97+%), 504C860, J-515004, C6H5BClFO2, cc-405, CID2778656, C2749, 4-Chloro-3-fluorophenylboronic acid, 99.5% - 1G 1g, 4-Chloro-3-fluorobenzeneboronic acid (contains varying amounts of anhydride),

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.006g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	174.362g/mol
Monoisotopic Mass	174.006g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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

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