Name: Name:2-(4,4-difluoro-1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid
Brand: Angene
SKU: AG01A4U8
Rating: 90 (10 reviews)

2-(4,4-difluoro-1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid

CAS No.:

1461715-18-3

Catalog Number:

AG01A4U8

Molecular Formula:

C11H7F2NO4

Molecular Weight:

255.1744

Catalog Number:

AG01A4U8

Chemical Name:

2-(4,4-difluoro-1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid

CAS Number:

1461715-18-3

Molecular Formula:

C11H7F2NO4

Molecular Weight:

255.1744

MDL Number:

MFCD25371582

IUPAC Name:

2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)acetic acid

InChI:

InChI=1S/C11H7F2NO4/c12-11(13)7-4-2-1-3-6(7)9(17)14(10(11)18)5-8(15)16/h1-4H,5H2,(H,15,16)

InChI Key:

YNOUAMNTRVEYJO-UHFFFAOYSA-N

SMILES:

OC(=O)CN1C(=O)c2ccccc2C(C1=O)(F)F

Complexity:

410

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

255.034g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

255.177g/mol

Monoisotopic Mass:

255.034g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2