7-Fluoro-1-hydroxyisoquinoline

CAT: 0127-PC48318Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-PC48318Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

410086-27-0

Synonyms

7-Fluoroisoquinolin-1-ol, 7-Fluoro-1-hydroxy-2-azanaphthalene

MDL Number

MFCD11847593

Purity

95%

Smiles

Oc1nccc2ccc(F)cc12

Notes

PC407073

Chemical Information

7-Fluoro-1,2-dihydroisoquinolin-1-one

CAS Number	410086-27-0
PubChem CID	22250122
IUPAC Name	7-fluoro-2H-isoquinolin-1-one
Molecular Formula	C9H6FNO
Molecular Weight	163.15
XLogP	1.4
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	227

SMILES

C1=CC(=CC2=C1C=CNC2=O)F

InChI

InChI=1S/C9H6FNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-5H,(H,11,12)

InChIKey

FUOKJYPVIFOPQF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 410086-27-0

CID: 22250122

Formula: C9H6FNO

MW: 163.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	163.15
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	163.043341977
Monoisotopic Mass	163.043341977
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	227
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR30506-01	7-Hydroxyisoquinoline
OR300047-01	7-Bromo-1-hydroxyisoquinoline
OR300080	1-Hydroxyisoquinoline-7-carboxylic acid
OR315042-01	1-Hydroxyisoquinoline
OR300117	3-Chloro-7-hydroxyisoquinoline
OR43644	7-Amino-3-hydroxyisoquinoline
OR42115	7-Bromo-3-hydroxyisoquinoline
OR1004445	N-hydroxyisoquinoline-7-carbimidoyl chloride
OR1032210-01	1-Hydroxyisoquinoline-7-boronic acid pinacal ester
OR1103204-01	7-Hydroxyisoquinoline-4-carboxylic acid

Catalog	Name
sc-268353	7-Bromo-1-hydroxyisoquinoline
HY-172049-01	5-Fluoro PB-22 7-hydroxyisoquinoline isomer
sc-506391	1-Hydroxyisoquinoline-7-carboxylic acid
sc-220469	1-Hydroxyisoquinoline
439466-01	7-Bromo-3-hydroxyisoquinoline
HY-172052-01	PB-22 7-Hydroxyisoquinoline isomer
HYB44816-01	1-Hydroxyisoquinoline-7-boronic acid pinacol ester
HY-W768607	5-Fluoro PB-22 8-hydroxyisoquinoline isomer
HY-172048	5-Fluoro PB-22 6-hydroxyisoquinoline isomer
HY-172047-01	5-Fluoro PB-22 5-hydroxyisoquinoline isomer