Name: Name:5-FLUORO-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER
Brand: Angene
SKU: AG00GSV4
Rating: 90 (10 reviews)

5-FLUORO-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER

CAS No.:

928653-77-4

Catalog Number:

AG00GSV4

Molecular Formula:

C12H13FN2O2

Molecular Weight:

236.2422

Catalog Number:

AG00GSV4

Chemical Name:

5-FLUORO-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER

CAS Number:

928653-77-4

Molecular Formula:

C12H13FN2O2

Molecular Weight:

236.2422

IUPAC Name:

tert-butyl 5-fluoropyrrolo[2,3-b]pyridine-1-carboxylate

InChI:

InChI=1S/C12H13FN2O2/c1-12(2,3)17-11(16)15-5-4-8-6-9(13)7-14-10(8)15/h4-7H,1-3H3

InChI Key:

HKZLVKNLNVZTAQ-UHFFFAOYSA-N

SMILES:

Fc1cnc2c(c1)ccn2C(=O)OC(C)(C)C

Complexity:

303

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

236.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

236.246g/mol

Monoisotopic Mass:

236.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6