AG004Z7Z

850567-49-6 | 2-Amino-4-methoxycarbonylphenylboronic acid, pinacol ester, HCl

AG004Z7Z

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CAS Number	850567-49-6
Catalog Number	AG004Z7Z(AGN-PC-0713EV)
Chemical Name	2-Amino-4-methoxycarbonylphenylboronic acid, pinacol ester, HCl
IUPAC Name	methyl 3-amino-4-(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)10-7-6-9(8-11(10)16)12(17)18-5;/h6-8H,16H2,1-5H3;1H
InChI Key	HEBCDUUNEDAXAA-UHFFFAOYSA-N
MDL Number	MFCD06659918
Molecular Formula	C14H21BClNO4
Molecular Weight	313.5848
SMILES	Cl.COC(=O)C1=CC(N)=C(C=C1)B1OC(C)(C)C(C)(C)O1
Synonyms	850567-49-6, Methyl 3-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate hydrochloride, 2-Amino-4-methoxycarbonylphenylboronic acid, pinacol ester, HCl, (2-Amino-4-methoxycarbonylphenyl)boronic acid pinacol ester hydrochloride, MFCD06659918, METHYL 3-AMINO-4-BORONOBENZOATE PINACOL ESTER HYDROCHLORIDE, (2-amino-4-methoxycarbonyl)benzeneboronic acid pinacol ester hydrochloride, methyl 3-amino-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate hydrochloride, CTK8B3469, DTXSID80657334, ZX-AT010007, ANW-42568, OR5560, AKOS016001422, AB26634, AN-5068, RTR-026443, AK-80396, AX8015583, TR-026443, 4CH-021384, FT-0644920, ST24047785, A-3724, 567A496, C-19369, 2-amino-4-methoxycarbonylphenylboronic acid,pinacol, METHYL 3-AMINO-4-BORONOBENZOATE, PINACOL ESTER, HCL, 2-Amino-4-(methoxycarbonyl)benzeneboronic acid, pinacol ester hydrochloride, 2-amino-4-(methoxycarbonyl)benzeneboronic acid, pinacol ester hydrochloride 95%, Methyl 3-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate--hydrogen chloride (1/1), ACN-027247, 2-Amino-4-(methoxycarbonyl)benzeneboronic acid pinacol ester hydrochloride, 2-Amino-4-methoxycarbonyl)benzeneboronic acid pinacol ester hydrochloride,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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