8-bromo-5-methoxyisoquinoline

CAT: 0926-WVA31345-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-WVA31345-01Size:50 mg

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

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CAS Number

521313-45-1

MDL Number

MFCD22414512

Smiles

COC1=C2C=CN=CC2=C (C=C1) Br

Molecular Formula

C10H8BrNO

Molecular Weight

238.08 g/mol

Controlled

Chemical Information

8-Bromo-5-methoxyisoquinoline

CAS Number	521313-45-1
PubChem CID	69446346
IUPAC Name	8-bromo-5-methoxyisoquinoline
Molecular Formula	C10H8BrNO
Molecular Weight	238.08
XLogP	2.8
Topological Polar Surface Area	22.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	176

SMILES

COC1=C2C=CN=CC2=C(C=C1)Br

InChI

InChI=1S/C10H8BrNO/c1-13-10-3-2-9(11)8-6-12-5-4-7(8)10/h2-6H,1H3

InChIKey

XHGUNYMDWPMTEN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 521313-45-1

CID: 69446346

Formula: C10H8BrNO

MW: 238.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.08
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	236.97893
Monoisotopic Mass	236.97893
Topological Polar Surface Area	22.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	176
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
ECB43391-01	5-Bromo-8-methoxyisoquinoline
SCA33510-01	8-Bromo-7-methoxyisoquinoline
VYB69486-01	8-Bromo-6-methoxyisoquinoline
JWC37721-01	4-Bromo-8-methoxyisoquinoline
ZXC47807-01	5-Bromo-7-methoxyisoquinoline
WGC60097-01	5-Methoxyisoquinoline-8-carboxylic acid
RKC65225-01	8-Methoxyisoquinoline-5-carboxylic acid
RBB73507-01	7-Bromo-6-methoxyisoquinoline
RKB78523-01	6-Bromo-1-methoxyisoquinoline
IWC65954-01	4-Bromo-7-methoxyisoquinoline

Catalog	Name
OR73003	5-Bromo-8-methoxyisoquinoline
OR1007094-01	8-Bromo-5-methoxyisoquinoline
OR85433-01	5-Bromo-1-chloro-8-methoxyisoquinoline
OR78958-01	5-bromo-3-chloro-8-methoxyisoquinoline
OR370121	6-Bromo-8-methoxyisoquinoline
OR1051352-01	4-Bromo-8-methoxyisoquinoline
OR87231-01	8-Bromo-6-methoxyisoquinoline
OR72574	8-Bromo-1-methoxyisoquinoline
OR1041947-01	5-Bromo-7-methoxyisoquinoline
OR87546-01	5-Bromo-6-methoxyisoquinoline