AG003G83

433969-27-8 | (2-(((tert-butoxycarbonyl)amino)methyl)phenyl)boronic acid

AG003G83

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CAS Number	433969-27-8
Catalog Number	AG003G83(AGN-PC-0NCP16)
Chemical Name	(2-(((tert-butoxycarbonyl)amino)methyl)phenyl)boronic acid
IUPAC Name	[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid
InChI	InChI=1S/C12H18BNO4/c1-12(2,3)18-11(15)14-8-9-6-4-5-7-10(9)13(16)17/h4-7,16-17H,8H2,1-3H3,(H,14,15)
InChI Key	NVCGSIBAXVRMLU-UHFFFAOYSA-N
MDL Number	MFCD05663974
Molecular Formula	C12H18BNO4
Molecular Weight	251.0866
SMILES	CC(C)(C)OC(=O)NCC1=C(C=CC=C1)B(O)O
Synonyms	433969-27-8, (2-(((tert-Butoxycarbonyl)amino)methyl)phenyl)boronic acid, 2-[(Boc-amino)methyl]phenylboronic Acid, 2-BOC-AMINOMETHYL-PHENYLBORONIC ACID, [2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic Acid, 2-((tert-butoxycarbonylamino)methyl)phenylboronic acid, [2-({[(tert-butoxy)carbonyl]amino}methyl)phenyl]boronic acid, (2-{[(tert-Butoxycarbonyl)amino]methyl}phenyl)boronic acid, SCHEMBL3490988, KS-00000ARB, DTXSID80448143, NVCGSIBAXVRMLU-UHFFFAOYSA-N, ZX-RL003475, 6001AB, ANW-54914, MFCD05663974, AKOS015991297, ZINC169909026, 2-[(Boc-amino)methyl]phenylboronicAcid, AB22095, BS-2068, TRA0039223, 2-(N-Boc-aminomethyl)phenylboronic acid, OR310225, SY017591, AX8028729, RT-007422, TC-143659, Z-4418, MFCD05663974 (95+%), 2-(tert-butoxycarbonylaminomethyl)phenylboronic acid, 2-(TERT-BUTOXYCARBONYL)BENZYLAMINEBORONIC ACID, 2-(tert-butoxycarbonylaminomethyl)-phenylboronic acid, 2-{[(tert-butoxycarbonyl)amino]methyl}phenylboronic acid, C12H18BNO4, CID10911965, 2-BOC-AMINOMETHYL-PHENYLBORONICACID,

Complexity	278
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.133g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	251.089g/mol
Monoisotopic Mass	251.133g/mol
Rotatable Bond Count	5
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	H302
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501
UN Code

Certificate of Analysis

Lot Number