AG004SHV

850568-61-5 | 4-Chloro-2-ethoxycarbonylphenylboronic acid

AG004SHV

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CAS Number	850568-61-5
Catalog Number	AG004SHV(AGN-PC-03X8LH)
Chemical Name	4-Chloro-2-ethoxycarbonylphenylboronic acid
IUPAC Name	(4-chloro-2-ethoxycarbonylphenyl)boronic acid
InChI	InChI=1S/C9H10BClO4/c1-2-15-9(12)7-5-6(11)3-4-8(7)10(13)14/h3-5,13-14H,2H2,1H3
InChI Key	XKWOKFJBESYBKP-UHFFFAOYSA-N
MDL Number	MFCD06659823
Molecular Formula	C9H10BClO4
Molecular Weight	228.4373
SMILES	C(=O)(OCC)c1c(B(O)O)ccc(c1)Cl
Synonyms	850568-61-5, 4-Chloro-2-ethoxycarbonylphenylboronic acid, (4-CHLORO-2-ETHOXYCARBONYL)BENZENEBORONIC ACID, [4-chloro-2-(ethoxycarbonyl)phenyl]boronic acid, 4-chloro-2-(ethoxycarbonyl)phenylboronic acid, Benzoic acid,2-borono-5-chloro-, 1-ethyl ester (9CI), ACMC-209q2c, 4-Chloro-2-(ethoxycarbonyl)benzeneboronic acid, SCHEMBL473980, CTK5F3977, DTXSID00629634, XKWOKFJBESYBKP-UHFFFAOYSA-N, ZX-AT000639, ANW-38050, MFCD06659823, OR5531, AKOS004113769, ZINC169745156, AB26403, RTR-026521, VB10466, AS-55275, AX8006571, TR-026521, FT-0600759, B-4488, C-13136, I04-2541, cc-659, ACN-042635,

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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