Name: Name:6-amino-5-fluoro-1,2,3,4-tetrahydroisoquinolin-1-one
Brand: Angene
SKU: AG01B93V
Rating: 90 (10 reviews)

6-amino-5-fluoro-1,2,3,4-tetrahydroisoquinolin-1-one

CAS No.:

912846-55-0

Catalog Number:

AG01B93V

Molecular Formula:

C9H9FN2O

Molecular Weight:

180.1790

Catalog Number:

AG01B93V

Chemical Name:

6-amino-5-fluoro-1,2,3,4-tetrahydroisoquinolin-1-one

CAS Number:

912846-55-0

Molecular Formula:

C9H9FN2O

Molecular Weight:

180.1790

MDL Number:

MFCD20702794

IUPAC Name:

6-amino-5-fluoro-3,4-dihydro-2H-isoquinolin-1-one

InChI:

InChI=1S/C9H9FN2O/c10-8-5-3-4-12-9(13)6(5)1-2-7(8)11/h1-2H,3-4,11H2,(H,12,13)

InChI Key:

SANMPXKBWXSHPO-UHFFFAOYSA-N

SMILES:

O=C1NCCc2c1ccc(c2F)N

Complexity:

222

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.07g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.182g/mol

Monoisotopic Mass:

180.07g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7