AG006NKA

913835-93-5 | Ethyl 3-borono-4-chlorobenzoate

AG006NKA

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CAS Number	913835-93-5
Catalog Number	AG006NKA(AGN-PC-0VS7DS)
Chemical Name	Ethyl 3-borono-4-chlorobenzoate
IUPAC Name	(2-chloro-5-ethoxycarbonylphenyl)boronic acid
InChI	InChI=1S/C9H10BClO4/c1-2-15-9(12)6-3-4-8(11)7(5-6)10(13)14/h3-5,13-14H,2H2,1H3
InChI Key	MWOJXHPAEOGJPL-UHFFFAOYSA-N
MDL Number	MFCD08689529
Molecular Formula	C9H10BClO4
Molecular Weight	228.4373
SMILES	B(c1cc(ccc1Cl)C(=O)OCC)(O)O
Synonyms	913835-93-5, (2-Chloro-5-(ethoxycarbonyl)phenyl)boronic acid, Ethyl 3-borono-4-chlorobenzoate, 2-chloro-5-(ethoxycarbonyl)phenylboronic acid, 2-Chloro-5-(ethoxycarbonyl)benzeneboronic acid, [2-Chloro-5-(ethoxycarbonyl)phenyl]boronic acid, ACMC-209rae, SCHEMBL14150336, CTK5G9463, DTXSID70657166, ZX-AT010116, ANW-39636, MFCD08689529, OR3426, AKOS015833655, ZINC169745048, AB48257, RTR-028686, BC001846, AX8217848, TR-028686, FT-0699206, ST24033854, X1453, B-5649, I01-10586, C9H10BClO4, ACN-034289, (2-chloro-5-ethoxycarbonylphenyl)boronic acid, (2-Chloro-5-(ethoxycarbonyl)phenyl)boronicacid,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.036g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	228.435g/mol
Monoisotopic Mass	228.036g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.8A^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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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