AG007P2W

218301-87-2 | 4-N-Boc-Amino-3-fluorophenylboronic acid

AG007P2W

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CAS Number	218301-87-2
Catalog Number	AG007P2W(AGN-PC-03NEBL)
Chemical Name	4-N-Boc-Amino-3-fluorophenylboronic acid
IUPAC Name	[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid
InChI	InChI=1S/C11H15BFNO4/c1-11(2,3)18-10(15)14-9-5-4-7(12(16)17)6-8(9)13/h4-6,16-17H,1-3H3,(H,14,15)
InChI Key	KZDXWWVPJSNDSD-UHFFFAOYSA-N
MDL Number	MFCD03426360
Molecular Formula	C11H15BFNO4
Molecular Weight	255.0505
SMILES	OB(C1=CC=C(NC(OC(C)(C)C)=O)C(F)=C1)O
Synonyms	4-N-Boc-Amino-3-fluorophenylboronic acid, 218301-87-2, 4-(TERT-BUTOXYCARBONYLAMINO)-3-FLUOROPHENYLBORONIC ACID, (4-((tert-butoxycarbonyl)amino)-3-fluorophenyl)boronic acid, {4-[(tert-butoxycarbonyl)amino]-3-fluorophenyl}boronic acid, n-boc-4-amino-3-fluorophenylboronic acid, 4-N-Boc-amino-3-fluorobenzeneboronic acid, [3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid, 4-BOC-AMINO-3-FLUOROPHENYLBORONIC ACID, 4-(tert-butoxycarbonyl)-3-fluorophenylboronic acid, 4-N-Boc-amino-3-fluorophenylboronicacid, PubChem19852, SCHEMBL1256341, CTK8B3889, DTXSID10624413, KZDXWWVPJSNDSD-UHFFFAOYSA-N, ACT09109, ANW-43386, MFCD03426360, AKOS015920478, ZINC169746841, AB14842, AS06711, CB-1260, RTR-010233, AN-29506, AS-37074, BR-44595, N-Boc 4-amino-3-fluorophenylboronic acid, SC-26409, 4-n-boc-amino-3-fluoro-phenylboronic acid, N-Boc-4-amino-3-fluorobenzeneboronic acid, AB0005746, ST2418503, TR-010233, A4676, FT-0630216, X0628, A-1881, 301B872, A815690, N-BOC-3-FLUORO-4-AMINO-PHENYL-BORONIC ACID, Q-102198, 3-fluoro-4-tert-butoxycarbonylamino-phenylboronic acid, [4-(tert-butoxycarbonylamino)-3-fluoro-phenyl]boronic acid, (4-{[(tert-butoxy)carbonyl]amino}-3-fluorophenyl)boronic acid, {4-[(tert-butoxycarbonyl)amino]-3-fluorophenyl}-boronic acid, [3-fluoranyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid, [3-fluoro-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]boronic acid, C11H15BFNO4, ACN-045156, N-BOC-4-AMINO-3-FLUORO-BENZENEBORONIC ACID,

Complexity	295
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.108g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	255.052g/mol
Monoisotopic Mass	255.108g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	78.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number