AG000BP9

1161362-35-1 | 4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-diMethylethyl ester

AG000BP9

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CAS Number	1161362-35-1
Catalog Number	AG000BP9(AGN-PC-0CWIAC)
Chemical Name	4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-diMethylethyl ester
IUPAC Name	tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxylate
InChI	InChI=1S/C19H28BNO5/c1-17(2,3)24-16(22)21-10-11-23-15-9-8-13(12-14(15)21)20-25-18(4,5)19(6,7)26-20/h8-9,12H,10-11H2,1-7H3
InChI Key	FEZPAKAAFAMGRA-UHFFFAOYSA-N
MDL Number	MFCD11044677
Molecular Formula	C19H28BNO5
Molecular Weight	361.2403
SMILES	O=C(N1C2=CC(B3OC(C)(C)C(C)(C)O3)=CC=C2OCC1)OC(C)(C)C
Synonyms	1161362-35-1, tert-Butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazine-4(3H)-carboxylate, AK127406, FEZPAKAAFAMGRA-UHFFFAOYSA-N, SCHEMBL595077, KS-00000RBD, DTXSID30731936, MFCD16036418, AKOS016012653, ZINC169747637, DS-5525, DA-15156, tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrobenzo[b][1,4]oxazine-4-carboxylate, AX8249197, 4CH-022238, FT-0722581, ST24050055, (4-(TERT-BUTOXYCARBONYL)-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZIN-6-YL)BORONIC ACID PINACOL ESTER, 4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-diMethylethyl ester, tert-Butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-4H-1,4-benzoxazine-4-carboxylate,

Complexity	529
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	361.206g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	361.245g/mol
Monoisotopic Mass	361.206g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	57.2A^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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