AG0082PP

1092352-55-0 | tert-Butyl 2-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate

AG0082PP

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CAS Number	1092352-55-0
Catalog Number	AG0082PP(AGN-PC-07YNDO)
Chemical Name	tert-Butyl 2-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
IUPAC Name	tert-butyl 2-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
InChI	InChI=1S/C12H16ClN3O2/c1-12(2,3)18-11(17)16-5-4-9-8(7-16)6-14-10(13)15-9/h6H,4-5,7H2,1-3H3
InChI Key	HBEISXKDRDAGOU-UHFFFAOYSA-N
MDL Number	MFCD11518980
Molecular Formula	C12H16ClN3O2
Molecular Weight	269.7273
SMILES	CC(C)(C)OC(=O)N1CCC2=C(C1)C=NC(Cl)=N2
Synonyms	1092352-55-0, tert-Butyl 2-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate, tert-butyl 2-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate, AK-27523, 2-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl ester, W-204703, PubChem23050, SCHEMBL17183931, CTK4A6383, DTXSID70676675, KS-000006KK, ANW-74803, MFCD11518980, ZINC35270088, AKOS015841214, ACN-039407, CB-2717, FCH1618940, PB25403, RP07546, AJ-91049, AS-34288, SC-45227, AB0039537, AX8158957, DB-059850, TR-039581, CS-0048423, FT-0650215, ST24049672, Y7017, C-8368, Z-9505, A801989, J-524439, tert-butyl 2-chloro-7,8-dihydropyrido[4,3-d]pyrimi, 6(5H)-N-Boc-2-chloro-7,8-dihydropyrido[4,3-d]pyrimidine, tert-butyl 2-chloro-5H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate, tert-butyl 2-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate, tert-Butyl 2-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H);-carboxylate, tert-butyl 2-chloranyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate, C12H16ClN3O2, tert-Butyl2-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.093g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	269.729g/mol
Monoisotopic Mass	269.093g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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