AG00D90X

461699-81-0 | 4-Amino-3-methoxyphenylboronic acid, pinacol ester

AG00D90X

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CAS Number	461699-81-0
Catalog Number	AG00D90X(AGN-PC-01LR06)
Chemical Name	4-Amino-3-methoxyphenylboronic acid, pinacol ester
IUPAC Name	2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI	InChI=1S/C13H20BNO3/c1-12(2)13(3,4)18-14(17-12)9-6-7-10(15)11(8-9)16-5/h6-8H,15H2,1-5H3
InChI Key	KEMUFKXFCINKAA-UHFFFAOYSA-N
MDL Number	MFCD06795657
Molecular Formula	C13H20BNO3
Molecular Weight	249.1138
SMILES	COC1=C(N)C=CC(=C1)B1OC(C)(C)C(C)(C)O1
Synonyms	461699-81-0, 2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline, 4-AMINO-3-METHOXYPHENYLBORONIC ACID, PINACOL ESTER, 4-Amino-3-methoxyphenylboronic acid pinacol ester, AK-81643, (4-AMINO-3-METHOXYPHENYL)BORONIC ACID PINACOL ESTER, 2-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline, SCHEMBL178289, CTK8B3503, DTXSID00590350, KEMUFKXFCINKAA-UHFFFAOYSA-N, BM307, ZXBA000266, ZX-AT019481, ANW-42625, MFCD06795657, OR2652, AKOS015960112, ZINC169794292, AB29185, FCH2717412, RTR-017378, ACM461699810, AS-36360, SC-26041, AX8093837, TR-017378, A-3728, 4-Amino-3-methoxyphenylboronic acid,pinacol ester, 4-amino-3-methoxyphenylboronic acid pinacol ester, AldrichCPR, 4-Amino-3-methoxyphenylboronic acid, pinacol ester, AldrichCPR, 2-methoxy-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylamine, 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-aniline, 4-AMINO-3-METHOXYPHENYLBORONICACID,PINACOLESTER, 2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborola,

Complexity	293
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.154g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	249.117g/mol
Monoisotopic Mass	249.154g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	53.7A^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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