AG00APJC

171178-46-4 | 5-[(tert-Butoxycarbonyl)amino]-2-chloroisonicotinic acid

AG00APJC

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CAS Number	171178-46-4
Catalog Number	AG00APJC(AGN-PC-0N6NU0)
Chemical Name	5-[(tert-Butoxycarbonyl)amino]-2-chloroisonicotinic acid
IUPAC Name	2-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
InChI	InChI=1S/C11H13ClN2O4/c1-11(2,3)18-10(17)14-7-5-13-8(12)4-6(7)9(15)16/h4-5H,1-3H3,(H,14,17)(H,15,16)
InChI Key	KOSPRFUMGCNGFJ-UHFFFAOYSA-N
MDL Number	MFCD09258838
Molecular Formula	C11H13ClN2O4
Molecular Weight	272.6849
SMILES	O=C(O)C1=C(NC(OC(C)(C)C)=O)C=NC(Cl)=C1
Synonyms	171178-46-4, 5-((tert-Butoxycarbonyl)amino)-2-chloroisonicotinic acid, 5-Boc-amino-2-chloropyridine-4-carboxylic acid, 5-[(tert-Butoxycarbonyl)amino]-2-chloroisonicotinic acid, 5-{[(tert-butoxy)carbonyl]amino}-2-chloropyridine-4-carboxylic acid, 5-tert-Butoxycarbonylamino-2-chloro-isonicotinic acid, 5-(Boc-amino)-2-chloropyridine-4-carboxylic acid, AK123538, 5-(tert-Butoxycarbonylamino)-2-chloroisonicotinic acid, 5-[(tert-butoxycarbonyl)amino]-2-chloropyridine-4-carboxylic acid, SCHEMBL535674, CTK4D3842, DTXSID10441844, KOSPRFUMGCNGFJ-UHFFFAOYSA-N, KS-000003BD, ZX-AT015899, 8806AA, MFCD09258838, SBB052854, ZINC20357739, 2-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic Acid, AKOS015838226, AS-5281, CS-W007173, FCH1626693, OR18623, PB29608, WT82353, AJ-77160, SC-34760, AB0003373, AX8247716, TR-072167, FT-0682827, ST24044154, C-1981, 5-tert-Butoxycarbonylamino-2-chloroisonicotinic acid, I02-4187, 5-[(TERT-BUTOXYCARBONYL)AMINO]-2-CHLOROISONICOTINI, 2-Chloro-5-(tert-butoxycarbonylamino)pyridine-4-carboxylic acid, 5-[(tert-butoxy)carbonylamino]-2-chloropyridine-4-carboxylic acid, 5-[N-(tert-butoxycarbonyl)amino]-2-chloropyridine-4-carboxylic acid, 5- [N-(tert-butoxycarbonyl)amino]-2-chloropyridine-4-carboxylic acid, 4-PYRIDINECARBOXYLIC ACID, 2-CHLORO-5-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-, 4-Pyridinecarboxylic acid,2-chloro-5-[[(1,1-dimethylethoxy)carbonyl]amino]-, C11H13ClN2O4, CID10564144, 5-((tert-Butoxycarbonyl)amino)-2-chloroisonicotinicacid, 5-Boc-amino-2-chloropyridine-4-carboxylic acid, 97% - 1G 1g,

Complexity	330
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.056g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	272.685g/mol
Monoisotopic Mass	272.056g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	88.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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