AG004MXY

874219-46-2 | 4-Chloro-3-(ethoxycarbonyl)phenylboronic acid

AG004MXY

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CAS Number	874219-46-2
Catalog Number	AG004MXY(AGN-PC-0VDGK1)
Chemical Name	4-Chloro-3-(ethoxycarbonyl)phenylboronic acid
IUPAC Name	(4-chloro-3-ethoxycarbonylphenyl)boronic acid
InChI	InChI=1S/C9H10BClO4/c1-2-15-9(12)7-5-6(10(13)14)3-4-8(7)11/h3-5,13-14H,2H2,1H3
InChI Key	HYQMEDIXHJXOND-UHFFFAOYSA-N
MDL Number	MFCD08235062
Molecular Formula	C9H10BClO4
Molecular Weight	228.4373
SMILES	CCOC(=O)C1=C(Cl)C=CC(=C1)B(O)O
Synonyms	874219-46-2, (4-Chloro-3-(ethoxycarbonyl)phenyl)boronic acid, 4-Chloro-3-(ethoxycarbonyl)phenylboronic acid, 4-Chloro-3-(ethoxycarbonyl)benzeneboronic acid, 4-chloro-3-ethoxycarbonylphenylboronic acid, [4-Chloro-3-(ethoxycarbonyl)phenyl]boronic acid, 5-BORONO-2-CHLORO-BENZOIC ACID 1-ETHYL ESTER, ACMC-209qla, (4-chloro-3-ethoxycarbonylphenyl)boronic acid, SCHEMBL364895, CTK5F8373, DTXSID30657420, HYQMEDIXHJXOND-UHFFFAOYSA-N, KS-00000P4Y, ZX-AT010040, ANW-38732, MFCD08235062, OR9370, AKOS015849966, ZINC169745476, AM87325, RL05436, RTR-027389, AK-62044, AN-26754, BC001250, DS-14906, AX8218066, DB-028802, TR-027389, 4-chloro-3-(ethoxycarbony)phenylboronic acid, 4-Chloro-3-(ethoxycarbonyl)phenylboronicacid, FT-0686866, ST24034655, X1440, (4-chloro-3-ethoxycarbonyl-phenyl)boronic acid, 4-Chloro-3-(ethoxycarbonyl)phenylboronic acid., B-4418, Benzoic acid,5-borono-2-chloro-, 1-ethyl ester, (4-chloranyl-3-ethoxycarbonyl-phenyl)boronic acid, 219C462, A842163, BENZOIC ACID, 5-BORONO-2-CHLORO-, 1-ETHYL ESTER, C9H10BClO4, Ethyl 5-borono-2-chlorobenzoate, 4-CHLORO-3- PHENYLBORONICACID, ACN-042636, (4-Chloro-3-(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-P305+P351+P338
UN Code

Certificate of Analysis

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