Name: Name:6-fluoro-7-nitro-1,2,3,4-tetrahydroisoquinolin-1-one
Brand: Angene
SKU: AG01ELPK
Rating: 90 (10 reviews)

6-fluoro-7-nitro-1,2,3,4-tetrahydroisoquinolin-1-one

CAS No.:

1809018-61-8

Catalog Number:

AG01ELPK

Molecular Formula:

C9H7FN2O3

Molecular Weight:

210.1619

Catalog Number:

AG01ELPK

Chemical Name:

6-fluoro-7-nitro-1,2,3,4-tetrahydroisoquinolin-1-one

CAS Number:

1809018-61-8

Molecular Formula:

C9H7FN2O3

Molecular Weight:

210.1619

MDL Number:

MFCD31617681

IUPAC Name:

6-fluoro-7-nitro-3,4-dihydro-2H-isoquinolin-1-one

InChI:

InChI=1S/C9H7FN2O3/c10-7-3-5-1-2-11-9(13)6(5)4-8(7)12(14)15/h3-4H,1-2H2,(H,11,13)

InChI Key:

QHGDIVMTVIOPDQ-UHFFFAOYSA-N

SMILES:

O=C1NCCc2c1cc([N+](=O)[O-])c(c2)F

Complexity:

292

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

210.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

210.164g/mol

Monoisotopic Mass:

210.044g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2