AG0033O4

328956-61-2 | 3-Chloro-5-Fluorophenylboronic Acid

AG0033O4

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CAS Number	328956-61-2
Catalog Number	AG0033O4(AGN-PC-00P3QT)
Chemical Name	3-Chloro-5-Fluorophenylboronic Acid
IUPAC Name	(3-chloro-5-fluorophenyl)boronic acid
InChI	InChI=1S/C6H5BClFO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
InChI Key	XYQDHVBKUNNLGZ-UHFFFAOYSA-N
MDL Number	MFCD06801741
Molecular Formula	C6H5BClFO2
Molecular Weight	174.3651
SMILES	OB(C1=C(C=C(C=C1)F)Cl)O
Synonyms	3-chloro-5-fluorophenylboronic acid, 328956-61-2, (3-chloro-5-fluorophenyl)boronic acid, 3-Chloro-5-fluorobenzeneboronic acid, MFCD06801741, Boronic acid, (3-chloro-5-fluorophenyl)-, PubChem6363, ACMC-1AGJY, SCHEMBL5524, KSC497K5N, 3-Borono-5-fluorochlorobenzene, CTK3J7556, DTXSID00572313, XYQDHVBKUNNLGZ-UHFFFAOYSA-N, ACN-S003993, ACT11028, ANW-27491, BBL100993, CC-952, SBB071242, STL554787, 3-chloro-5-fluoro-benzeneboronic acid, AKOS004113767, ZINC169744967, AB30220, CS-W003356, GS-6553, LS11006, RL03185, RL03186, RTR-013808, TRA0041825, VB10163, (3-chloro-5-fluoro-phenyl)boronic acid, AK-34716, AN-24915, BC001186, BR-34716, EN001533, SC-97141, SY014161, AB0020862, DB-010569, ST2410633, TR-013808, 4CH-001221, AM20050344, FT-0645345, V1884, (3-chloranyl-5-fluoranyl-phenyl)boronic acid, MFCD06801741 (98%), B-8123, 3-chloro-5-fluorobenzeneboronic acid, AldrichCPR, 956C612, A821503, I04-0743, J-512268, C6H5BClFO2, 3-Chloro-5-fluorophenylboronicacid, ACN-032615, C2914, 3-Chloro-5-fluorobenzeneboronic acid, 98% - 1G 1g,

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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