Name: Name:tert-butyl 3-bromo-4-hydroxy-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate
Brand: Angene
SKU: AG01EMQC
Rating: 90 (10 reviews)

tert-butyl 3-bromo-4-hydroxy-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate

CAS No.:

2138035-81-9

Catalog Number:

AG01EMQC

Molecular Formula:

C13H17BrN2O3

Molecular Weight:

329.1897

Catalog Number:

AG01EMQC

Chemical Name:

tert-butyl 3-bromo-4-hydroxy-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate

CAS Number:

2138035-81-9

Molecular Formula:

C13H17BrN2O3

Molecular Weight:

329.1897

MDL Number:

MFCD31558905

IUPAC Name:

tert-butyl 3-bromo-4-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate

InChI:

InChI=1S/C13H17BrN2O3/c1-13(2,3)19-12(18)16-5-4-10-8(7-16)11(17)9(14)6-15-10/h6H,4-5,7H2,1-3H3,(H,15,17)

InChI Key:

SNCKVZLNPVTOJP-UHFFFAOYSA-N

SMILES:

O=C(N1CCc2c(C1)c(O)c(cn2)Br)OC(C)(C)C

Complexity:

489

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

328.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

329.194g/mol

Monoisotopic Mass:

328.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8