AG00BYGK

380430-53-5 | 2-Ethoxycarbonylbenzeneboronic acid

AG00BYGK

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CAS Number	380430-53-5
Catalog Number	AG00BYGK(AGN-PC-0KKVEV)
Chemical Name	2-Ethoxycarbonylbenzeneboronic acid
IUPAC Name	(2-ethoxycarbonylphenyl)boronic acid
InChI	InChI=1S/C9H11BO4/c1-2-14-9(11)7-5-3-4-6-8(7)10(12)13/h3-6,12-13H,2H2,1H3
InChI Key	QZKVVOXAEBCLPZ-UHFFFAOYSA-N
MDL Number	MFCD02179453
Molecular Formula	C9H11BO4
Molecular Weight	193.9922
SMILES	O=C(C1=CC=CC=C1B(O)O)OCC
Synonyms	380430-53-5, 2-Ethoxycarbonylphenylboronic acid, (2-(Ethoxycarbonyl)phenyl)boronic acid, 2-Ethoxycarbonylbenzeneboronic acid, 2-(ethoxycarbonyl)phenylboronic acid, (2-ethoxycarbonylphenyl)boronic Acid, o-ethoxycarbonylphenylboronic acid, [2-(ethoxycarbonyl)phenyl]boronic acid, 2-carbethoxyphenylboronic acid, Ethyl 2-(Dihydroxyboranyl)Benzoate, 2-(ethoxycarbonyl)benzeneboronic acid, MFCD02179453, AK-45558, Benzoic acid, 2-borono-, 1-ethyl ester, Q-102211, 2-Ethoxycarbonylphenylboronic acid, 97%, 2-(ethoxycarbonyl)phenylboronicacid, 2-(ethoxycarbonyl)phenyl boronic acid, AC1MCMWK, PubChem19853, ACMC-209ix0, ETHYL 2-BORONOBENZOATE, SCHEMBL519974, AC1Q348D, CHEMBL3236886, 2-carbethoxy-phenyl-boronic acid, CTK4H9199, KS-00000MOP, DTXSID70378440, QZKVVOXAEBCLPZ-UHFFFAOYSA-N, BM200, ZXBA000173, 2-ethoxycarbonyl-phenylboronic acid, 2-ethoxycarbonylphenyl boronic acid, 2-ethoxycarbonyl-benzeneboronic acid, ZX-AT022631, ANW-28786, CE-605, 2-(ethoxycarbonyl) phenylboronic acid, AKOS006220725, ZINC169743391, AB11161, GS-6809, LS10811, OR10468, RP09388, RTC-061001, VB10426, Benzoic acid,2-borono-, 1-ethyl ester, NCGC00249524-01, AN-28690, BC000365, N880, SC-23715, SY002451, 2-(Dihydroxyboryl)benzoic acid ethyl ester, AB0016105, AB1007993, AX8006754, DB-031696, ST2402169, TC-061001, A6457, E0877, FT-0678854, MFCD02179453 (95%), B-3033, 430E535, I01-9710, null, C9H11BO4, ACN-044097, CID2773405, Benzoic acid, 2-borono-, 1-ethyl ester (9CI), 2-(Ethoxycarbonyl)benzeneboronic acid, 98% - 1G 1g, 143418-49-9,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.075g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	193.993g/mol
Monoisotopic Mass	194.075g/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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