AG004PCB

850567-50-9 | 3-Amino-5-methoxycarbonylphenylboronic acid, pinacol ester, HCl

AG004PCB

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CAS Number	850567-50-9
Catalog Number	AG004PCB(AGN-PC-0713ET)
Chemical Name	3-Amino-5-methoxycarbonylphenylboronic acid, pinacol ester, HCl
IUPAC Name	methyl 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;hydrochloride
InChI	InChI=1S/C14H20BNO4.ClH/c1-13(2)14(3,4)20-15(19-13)10-6-9(12(17)18-5)7-11(16)8-10;/h6-8H,16H2,1-5H3;1H
InChI Key	XFBMZLLETVIICU-UHFFFAOYSA-N
MDL Number	MFCD06659919
Molecular Formula	C14H21BClNO4
Molecular Weight	313.5848
SMILES	Cl.COC(=O)C1=CC(N)=CC(=C1)B1OC(C)(C)C(C)(C)O1
Synonyms	850567-50-9, Methyl 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate hydrochloride, 3-Amino-5-methoxycarbonylphenylboronic acid, pinacol ester, HCl, (3-AMINO-5-METHOXYCARBONYL)BENZENEBORONIC ACID PINACOL ESTER HYDROCHLORIDE, 3-Amino-5-(methoxycarbonyl)benzeneboronic acid pinacol ester hydrochloride, CTK8B3461, DTXSID60657332, ZX-AT000625, ANW-42556, MFCD06659919, OR5553, AKOS016001494, AB26636, PS-9679, RTR-026444, AX8015582, TR-026444, FT-0644921, A-3725, A841089, C-19370, 3-Amino-5-(methoxycarbonyl)benzeneboronic acid pinacol ester hydrochlorid, methyl 3-amino-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate hydrochloride, methyl 3-azanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate hydrochloride, 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester hydrochloride, Methyl 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate--hydrogen chloride (1/1), BENZENEBORONICACIDPINACOLESTERHYDROCHLORIDE, Methyl3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoatehydrochloride,

Complexity	369
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	313.125g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	313.585g/mol
Monoisotopic Mass	313.125g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	70.8A^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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