AG00HTW4

1351374-48-5 | N-Cyclopropyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

AG00HTW4

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CAS Number	1351374-48-5
Catalog Number	AG00HTW4(AGN-PC-0WCXN0)
Chemical Name	N-Cyclopropyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
IUPAC Name	N-cyclopropyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI	InChI=1S/C17H24BNO3/c1-11-10-12(18-21-16(2,3)17(4,5)22-18)6-9-14(11)15(20)19-13-7-8-13/h6,9-10,13H,7-8H2,1-5H3,(H,19,20)
InChI Key	SVALSHAHFMBAEX-UHFFFAOYSA-N
MDL Number	MFCD28403873
Molecular Formula	C17H24BNO3
Molecular Weight	301.1884
SMILES	CC(C(C)(C)O1)(C)OB1C2=CC(C)=C(C(NC3CC3)=O)C=C2
Synonyms	1351374-48-5, N-cyclopropyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, N-cyclopropyl-2-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, (4-(Cyclopropylcarbamoyl)-3-methylphenyl)boronic acid pinacol ester, SCHEMBL455009, SVALSHAHFMBAEX-UHFFFAOYSA-N, MFCD28403873, ZINC203558408, KS-0000081I, AK173728, AS-52711, CS-0048814,

Complexity	431
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	301.185g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	301.193g/mol
Monoisotopic Mass	301.185g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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