AG0063E9

677743-50-9 | 2-Chloro-4-cyanophenylboronic Acid

AG0063E9

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CAS Number	677743-50-9
Catalog Number	AG0063E9(AGN-PC-03JOK0)
Chemical Name	2-Chloro-4-cyanophenylboronic Acid
IUPAC Name	(2-chloro-4-cyanophenyl)boronic acid
InChI	InChI=1S/C7H5BClNO2/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3,11-12H
InChI Key	MSCQYLAIRMCGGF-UHFFFAOYSA-N
MDL Number	MFCD18392511
Molecular Formula	C7H5BClNO2
Molecular Weight	181.3841
SMILES	N#CC1=CC=C(B(O)O)C(Cl)=C1
Synonyms	2-Chloro-4-cyanophenylboronic acid, 677743-50-9, (2-Chloro-4-cyanophenyl)boronic acid, ACMC-209o0t, SCHEMBL6083316, CTK8B2147, DTXSID80622047, 2-Chloro-4-cyanophenylboronicAcid, MSCQYLAIRMCGGF-UHFFFAOYSA-N, KS-00000AS9, ANW-35403, MFCD18392511, AKOS015893155, ZINC169746588, FCH1144128, AK-93898, CS-11563, OR360913, SY025123, Boronic acid, (2-chloro-4-cyanophenyl)-, AX8231262, TC-124148, ST24020194, V7251, MFCD18392511 (95%), A-3030, I04-2520, C7H5BClNO2, (2-Chloro-4-cyanophenyl)boronicacid,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.01g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	181.382g/mol
Monoisotopic Mass	181.01g/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-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number