AG00168Y

1218790-29-4 | 4-Methyl-1,4-benzoxazin-3-one-6-boronic acid, pinacol ester

AG00168Y

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	1218790-29-4
Catalog Number	AG00168Y(AGN-PC-0WAAJN)
Chemical Name	4-Methyl-1,4-benzoxazin-3-one-6-boronic acid, pinacol ester
IUPAC Name	4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-benzoxazin-3-one
InChI	InChI=1S/C15H20BNO4/c1-14(2)15(3,4)21-16(20-14)10-6-7-12-11(8-10)17(5)13(18)9-19-12/h6-8H,9H2,1-5H3
InChI Key	ZBZAZWWQFQFIAN-UHFFFAOYSA-N
MDL Number	MFCD15143610
Molecular Formula	C15H20BNO4
Molecular Weight	289.1346
SMILES	O=C1COC2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2N1C
Synonyms	1218790-29-4, 4-METHYL-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE, 4-methyl-1,4-benzoxazin-3-one-6-boronic acid, pinacol ester, 4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,4-benzoxazin-3(4H)-one, ZBZAZWWQFQFIAN-UHFFFAOYSA-N, SCHEMBL299364, DTXSID60682306, MFCD15143610, AKOS025293824, ZINC169936223, AS-38747, OR361423, A-5635, (4-methyl-3-oxo-3,4-dihydro-2h-benzo[b][1,4]oxazin-6-yl)boronic acid pinacol ester, 2H-1,4-Benzoxazin-3(4H)-one, 4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 4-methyl-1,4-benzoxazin-3-one-6-boronic acid pinacol ester,

Complexity	423
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	289.149g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	289.138g/mol
Monoisotopic Mass	289.149g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	48A^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

Lot Number