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1151665-15-4 | 1,6-Naphthyridine-6(5H)-carboxylic acid, 2-chloro-7,8-dihydro-, 1,1-dimethylethyl ester
CAS No: 1151665-15-4 Catalog No: AG000GCF MDL No:MFCD10565958
Product Description
Catalog Number:
AG000GCF
Chemical Name:
1,6-Naphthyridine-6(5H)-carboxylic acid, 2-chloro-7,8-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1151665-15-4
Molecular Formula:
C13H17ClN2O2
Molecular Weight:
268.7393
MDL Number:
MFCD10565958
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
SMILES:
O=C(N1CCc2c(C1)ccc(n2)Cl)OC(C)(C)C
Properties
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
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