AG00GSWI

915763-60-9 | (3-Chloro-5-cyanophenyl)boronic acid

AG00GSWI

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CAS Number	915763-60-9
Catalog Number	AG00GSWI(AGN-PC-0AM075)
Chemical Name	(3-Chloro-5-cyanophenyl)boronic acid
IUPAC Name	(3-chloro-5-cyanophenyl)boronic acid
InChI	InChI=1S/C7H5BClNO2/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-3,11-12H
InChI Key	DYVJQLYYHMZIIU-UHFFFAOYSA-N
MDL Number	MFCD09263609
Molecular Formula	C7H5BClNO2
Molecular Weight	181.3841
SMILES	N#CC1=CC(Cl)=CC(B(O)O)=C1
Synonyms	(3-Chloro-5-cyanophenyl)boronic acid, 915763-60-9, 3-chloro-5-cyanophenylboronic acid, (3-CHLORO-5-CYANOPHENYL)BORONICACID, SCHEMBL2377148, CTK8C0127, KS-00000OKP, DTXSID40717286, 3-Chloro-5-cyanophenylboronicacid, 3-chloro-5-cyanophenyl boronic acid, ANW-64176, MFCD09263609, AKOS006331608, ZINC169745689, AB50204, CS-W018738, RL05767, AK-68177, BR-68177, DS-16878, SC-98016, AB0027636, DB-020975, TC-152921, FT-0760845, ST24026217, W9485, A-9284, J-512263, BORONICACID, C7H5BClNO2, (3-Chloro-5-cyanophenyl)boronic acid, 98% - 1G 1g, 913836-14-3,

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-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number