AG000GCF

1151665-15-4 | 1,6-Naphthyridine-6(5H)-carboxylic acid, 2-chloro-7,8-dihydro-, 1,1-dimethylethyl ester

AG000GCF

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CAS Number	1151665-15-4
Catalog Number	AG000GCF(AGN-PC-07YKE8)
Chemical Name	1,6-Naphthyridine-6(5H)-carboxylic acid, 2-chloro-7,8-dihydro-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 2-chloro-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
InChI	InChI=1S/C13H17ClN2O2/c1-13(2,3)18-12(17)16-7-6-10-9(8-16)4-5-11(14)15-10/h4-5H,6-8H2,1-3H3
InChI Key	LPZHKCVGWZFNDC-UHFFFAOYSA-N
MDL Number	MFCD10565958
Molecular Formula	C13H17ClN2O2
Molecular Weight	268.7393
SMILES	ClC1=NC=2CCN(CC2C=C1)C(=O)OC(C)(C)C
Synonyms	1151665-15-4, tert-butyl 2-chloro-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate, tert-butyl 2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate, AK-57103, 6-Boc-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine, tert-butyl 2-chloro-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate, tert-butyl-2-chloro-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate, LPZHKCVGWZFNDC-UHFFFAOYSA-N, SCHEMBL867858, CTK4A9198, DTXSID80676565, BCP15656, ANW-47966, MFCD10565958, SC4250, ZINC49582252, AKOS015841254, CB-3585, CS-W022989, EBD2045417, FCH1627643, RP29568, BR-57103, OR310926, SY047686, AB0034879, AJ-111129, AX8216990, DB-015017, ST2413873, TC-064560, FT-0682531, X9106, MFCD10565958 (95%), S-3385, J-524831, 6(5H)-Boc-2-chloro-7,8-dihydro-1,6-naphthyridine, I14-14717, tert-butyl2-chloro-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate, tert-butyl 2-chloro-7,8-dihydro-1,6-naphthyridine-6 (5H)-carboxylate, 2-Chloro-7,8-dihydro-5H-[1,6]naphthyridine-6-carboxylic acid tert-butyl ester, 1,6-NAPHTHYRIDINE-6(5H)-CARBOXYLIC ACID, 2-CHLORO-7,8-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER, C13H17ClN2O2, CB11442, CS-4304, A2358,

Complexity	317
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	268.098g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	268.741g/mol
Monoisotopic Mass	268.098g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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