8-Bromoisoquinoline

CAT: 0926-FB33653-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0926-FB33653-01Size:100 g

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

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CAS Number

63927-22-0

MDL Number

MFCD04973298

Smiles

C1=CC2=C (C=NC=C2) C (=C1) Br

Molecular Formula

C9H6BrN

Molecular Weight

208.05 g/mol

Controlled

Chemical Information

8-Bromoisoquinoline

CAS Number	63927-22-0
PubChem CID	9859134
IUPAC Name	8-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=CC2=C(C=NC=C2)C(=C1)Br

InChI

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

InChIKey

DPRIHFQFWWCIGY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63927-22-0

CID: 9859134

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
YXC25404-01	4-Bromoisoquinoline-8-carboxylic acid
FB11908	6-Bromoisoquinoline
FB03416-01	4-Bromoisoquinoline
IQB36178-01	4-Bromoisoquinoline-1-carbaldehyde
GNB00376-01	5-Bromoisoquinoline-1-carbonitrile
FA42189-01	4-Amino-3-bromoisoquinoline
CFA62593-01	4-Bromoisoquinoline-5-sulfonamide
EYB33425-01	7-Bromoisoquinoline-1-carbonitrile
DAC65473-01	5-Bromoisoquinoline-1-carboxylic acid
RGC71283-01	5-Bromoisoquinoline-3-carboxylic acid

Catalog	Name
263951-01	8-Bromoisoquinoline
OR1054341	8-Bromoisoquinoline Hydrochloride
234983-01	8-Bromoisoquinoline ≥95% (HPLC)
OR300063-01	1-Amino-8-bromoisoquinoline
439945-01	8-Amino-5-bromoisoquinoline
OR1050831-01	4-Bromoisoquinoline-8-carboxylic acid
OR1051434	Ethyl 8-bromoisoquinoline-3-carboxylate
234968-01	8-Amino-5-bromoisoquinoline ≥97% (HPLC)
TYD-00342-01	5-Bromoisoquinoline
TYD-00554-01	4-Bromoisoquinoline