AG00IER5

877399-47-8 | (R)-5-Bromo-N,N-bis-(tert-butoxycarbonyl)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)pyridin-2-amine

AG00IER5

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CAS Number	877399-47-8
Catalog Number	AG00IER5(AGN-PC-0VGEH5)
Chemical Name	(R)-5-Bromo-N,N-bis-(tert-butoxycarbonyl)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)pyridin-2-amine
IUPAC Name	tert-butyl N-[5-bromo-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
InChI	InChI=1S/C23H26BrCl2FN2O5/c1-12(17-14(25)8-9-15(27)18(17)26)32-16-10-13(24)11-28-19(16)29(20(30)33-22(2,3)4)21(31)34-23(5,6)7/h8-12H,1-7H3/t12-/m1/s1
InChI Key	ODVAQMSMMKGMLV-GFCCVEGCSA-N
MDL Number	MFCD28134573
Molecular Formula	C23H26BrCl2FN2O5
Molecular Weight	580.2713
SMILES	C[C@@H](OC1=CC(Br)=CN=C1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1=C(Cl)C=CC(F)=C1Cl
Synonyms	877399-47-8, (R)-5-Bromo-N,N-bis-(tert-butoxycarbonyl)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)pyridin-2-amine, AK162848, SCHEMBL12669442, KS-00000SN3, MFCD28134573, AKOS024463799, ZINC147798075, DS-7919, AX8294801, ST24035509, Imidodicarbonic acid,[5-bromo-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-pyridinyl]-,bis(1,1-dimethylethyl) ester,

Complexity	693
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	578.039g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	580.272g/mol
Monoisotopic Mass	578.039g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	78A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7

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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