AG006BL4

957120-87-5 | 2,4-Dichloro-3-cyanophenylboronic acid

AG006BL4

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CAS Number	957120-87-5
Catalog Number	AG006BL4(AGN-PC-0W5BI1)
Chemical Name	2,4-Dichloro-3-cyanophenylboronic acid
IUPAC Name	(2,4-dichloro-3-cyanophenyl)boronic acid
InChI	InChI=1S/C7H4BCl2NO2/c9-6-2-1-5(8(12)13)7(10)4(6)3-11/h1-2,12-13H
InChI Key	FFNJVSXDMXUODJ-UHFFFAOYSA-N
MDL Number	MFCD09800881
Molecular Formula	C7H4BCl2NO2
Molecular Weight	215.8292
SMILES	ClC1C(B(O)O)=CC=C(C=1C#N)Cl
Synonyms	2,4-DICHLORO-3-CYANOPHENYLBORONIC ACID, 957120-87-5, 2,4-Dichloro-3-cyanophenylboronicacid, 3-Cyano-2,4-dichlorobenzeneboronic acid, (2,4-dichloro-3-cyanophenyl)boronic acid, AK-39822, C7H4BCl2NO2, ACMC-209s4c, SCHEMBL14120678, CTK3J6004, KS-00000HWI, DTXSID50656899, ZX-AT014669, ANW-40714, MFCD09800881, SBB065867, AKOS015892651, ZINC169747964, CD-1081, CS-W020402, FCH1323709, OR11569, RP26937, RTX-011656, VB10192, BC001294, DS-14391, (2,4-dichloro-3-cyano-phenyl)boronic acid, AX8161612, DB-010312, FT-0658783, ST24038624, V9818, B-1225, Boronic acid,B-(2,4-dichloro-3-cyanophenyl)-, [2,4-bis(chloranyl)-3-cyano-phenyl]boronic acid, A845431, I04-0622, J-507113, B-(2,4-DICHLORO-3-CYANOPHENYL)-BORONIC ACID, BORONIC ACID, B-(2,4-DICHLORO-3-CYANOPHENYL)-,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.971g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	215.824g/mol
Monoisotopic Mass	214.971g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	64.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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