4-Bromoisoquinoline

CAT: 0127-OR14319-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR14319-01Size:5 g

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

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CAS Number

1532-97-4

MDL Number

MFCD00006904

Purity

=95%

Smiles

Brc1cncc2ccccc12

Storage Conditions

Store at 2-8°C

Chemical Information

4-Bromoisoquinoline

CAS Number	1532-97-4
PubChem CID	73743
IUPAC Name	4-bromoisoquinoline
Molecular Formula	C9H6BrN
Molecular Weight	208.05
XLogP	2.8
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=NC=C2Br

InChI

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

InChIKey

SCRBSGZBTHKAHU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1532-97-4

CID: 73743

Formula: C9H6BrN

MW: 208.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.05
XLogP3	2.8
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
OR1047170-01	6-Bromoisoquinoline-4-carbonitrile
OR1050752-01	6-Bromoisoquinoline-4-carbaldehyde
OR1037398-01	Methyl 5-bromoisoquinoline-4-carboxylate
OR1050930-01	6-Bromoisoquinoline-4-carboxylic acid
OR88589-01	5-Bromoisoquinoline-4-carboxylic acid
OR8569	8-Bromoisoquinoline
OR59454	1-Bromoisoquinoline
OR8906-01	5-Bromoisoquinoline
OR40468	7-Bromoisoquinoline
OR40221-01	3-Bromoisoquinoline

Catalog	Name
TYD-00554-01	4-Bromoisoquinoline
502024	4‐BROMOISOQUINOLINE
B21910-01	4-Bromoisoquinoline 98%
IQB36178-01	4-Bromoisoquinoline-1-carbaldehyde
FA42189-01	4-Amino-3-bromoisoquinoline
CFA62593-01	4-Bromoisoquinoline-5-sulfonamide
260315-01	1-Amino-4-bromoisoQuinoline
sc-267336	4-Bromoisoquinoline 2-oxide
YXC25404-01	4-Bromoisoquinoline-8-carboxylic acid
abx180515	4-bromoisoquinoline-6-carboxylic acid