AG000VDN

1310384-28-1 | 1-Boc-5,6-dichloro-1h-indole-2-boronic acid

AG000VDN

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CAS Number	1310384-28-1
Catalog Number	AG000VDN(AGN-PC-07HB1N)
Chemical Name	1-Boc-5,6-dichloro-1h-indole-2-boronic acid
IUPAC Name	[5,6-dichloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI	InChI=1S/C13H14BCl2NO4/c1-13(2,3)21-12(18)17-10-6-9(16)8(15)4-7(10)5-11(17)14(19)20/h4-6,19-20H,1-3H3
InChI Key	BRRPGLYHNRRPNX-UHFFFAOYSA-N
MDL Number	MFCD09953518
Molecular Formula	C13H14BCl2NO4
Molecular Weight	329.9716
SMILES	ClC1=CC2=C(C=C1Cl)C=C(B(O)O)N2C(OC(C)(C)C)=O
Synonyms	1310384-28-1, 1-Boc-5,6-Dichloro-1H-indole-2-boronic acid, (1-(tert-Butoxycarbonyl)-5,6-dichloro-1H-indol-2-yl)boronic acid, AK-24288, {1-[(tert-butoxy)carbonyl]-5,6-dichloro-1H-indol-2-yl}boronic acid, [1-(tert-Butoxycarbonyl)-5,6-dichloro-1H-indol-2-yl]boronic acid, C13H14BCl2NO4, CTK8B6032, DTXSID90672114, KS-000024JI, ANW-52178, MFCD09953518, AKOS015919468, ZINC169745073, DS-0331, BR-24288, AB0035445, AX8158241, TC-140923, 4CH-001290, ST24026049, X9783, S-7262, 1-N-Boc-5,6-dichloro-1H-indole-2-boronic acid, 1-(tert-butoxycarbonyl)-5,6-dichloroindol-2-ylboronic acid, 1-Boc-5,6-dichloro-1H-indole-2-boronic acid, AldrichCPR,

Complexity	404
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	329.039g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	329.968g/mol
Monoisotopic Mass	329.039g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	71.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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