1-Bromoisoquinoline

CAT: 1596-AR-I04126-01Size: 10 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-I04126-01Size:10 Units

Selected

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

Quick Request Actions

CAS Number

1532-71-4

Molecular Formula

C9H6BrN

Molecular Weight

208.06

API Name

Isoquinoline

Chemical Information

1-Bromoisoquinoline

CAS Number	1532-71-4
PubChem CID	640963
IUPAC Name	1-bromoisoquinoline
Molecular Formula	C9H6BrN
Molecular Weight	208.05
XLogP	3.3
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	138

SMILES

C1=CC=C2C(=C1)C=CN=C2Br

InChI

InChI=1S/C9H6BrN/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H

InChIKey

YWWZASFPWWPUBN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1532-71-4

CID: 640963

Formula: C9H6BrN

MW: 208.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.05
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	206.96836
Monoisotopic Mass	206.96836
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	138
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
AR-E10533-01	1,1,1-Trichloroethane
AR-K00999-01	1,1,1-Kestopentaose
AR-E01999-01	1,1,1-Trichloro-Trifluoroethane
AR-B08225-01	Bortezomib Stereo Isomers Mixture (1:1:1:1)
AR-D06471-01	3- (1-Cyano-1,1-diphenylmethyl) -1-tosylpyrrolidine
AR-I01381-01	1,1'-Carbonyldiimidazole
AR-C08588-01	1,1-Dichlorocyclohexane
AR-S10247-01	1,1-Dicyclopentylsilanediol
AR-P02079-01	1,1'-Ethylenedipiperazine
AR-M04570-01	1,1-Dichloropinacolin

Catalog	Name
JH156115	1-Bromoisoquinoline
GNB00376-01	5-Bromoisoquinoline-1-carbonitrile
IQB36178-01	4-Bromoisoquinoline-1-carbaldehyde
OR1076043	4-Bromoisoquinoline-1-thiol
OR300063-01	1-Amino-8-bromoisoquinoline
OR4532-01	3-Amino-1-bromoisoquinoline
FB33653-01	8-Bromoisoquinoline
TYD-00554-01	4-Bromoisoquinoline
TYD-00342-01	5-Bromoisoquinoline
sc-205156A	6-Bromoisoquinoline