AG007ERT

1072952-53-4 | 3-Chloro-4-formylbenzeneboronic acid

AG007ERT

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CAS Number	1072952-53-4
Catalog Number	AG007ERT(AGN-PC-0WA8GA)
Chemical Name	3-Chloro-4-formylbenzeneboronic acid
IUPAC Name	(3-chloro-4-formylphenyl)boronic acid
InChI	InChI=1S/C7H6BClO3/c9-7-3-6(8(11)12)2-1-5(7)4-10/h1-4,11-12H
InChI Key	KDIYVLXLPNHJRZ-UHFFFAOYSA-N
MDL Number	MFCD08274473
Molecular Formula	C7H6BClO3
Molecular Weight	184.3847
SMILES	B(O)(O)c1cc(Cl)c(cc1)C=O
Synonyms	3-Chloro-4-formylphenylboronic acid, 1072952-53-4, (3-Chloro-4-formylphenyl)boronic acid, 4-BORONO-2-CHLOROBENZALDEHYDE, MFCD08274473, 3-CHLORO-4-FORMYLBENZENEBORONIC ACID, ACMC-2098uy, KSC496A3D, SCHEMBL4339258, CHEMBL3236892, CTK3J6031, KS-00000YTF, DTXSID30655148, KDIYVLXLPNHJRZ-UHFFFAOYSA-N, ANW-15752, FCH920232, 3-chloro-4-formyl phenylboronic acid, AKOS006343217, ZINC169744921, RTR-001689, (3-Chloro-4-formyl-phenyl)boronic acid, AK-61432, BC002044, OR360190, AB0029170, AX8196281, DB-059616, TR-001689, FT-0704282, ST24034354, X1310, A-4789, C90051, I04-2517, C7H6BClO3, (3-Chloro-4-formylphenyl)boronicacid,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.01g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	184.382g/mol
Monoisotopic Mass	184.01g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^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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