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Home > Bromides > 2138035-81-9
2138035-81-9 | tert-butyl 3-bromo-4-hydroxy-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate
CAS No: 2138035-81-9 Catalog No: AG01EMQC MDL No:MFCD31558905
Product Description
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
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.042g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.194g/mol
Monoisotopic Mass:
328.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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