Amakusamine

CAT: 0127-BUP14025-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP14025-02Size:10 mg

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

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CAS Number

2923661-84-9

Purity

=98%

Smiles

BrC1=C2OCOC2=C(Br)C=3NC=CC13

Chemical Information

Amakusamine

CAS Number	2923661-84-9
PubChem CID	162642169
IUPAC Name	4,8-dibromo-5H-[1,3]dioxolo[4,5-f]indole
Molecular Formula	C9H5Br2NO2
Molecular Weight	318.95
XLogP	3.2
Topological Polar Surface Area	34.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	241

SMILES

C1OC2=C(C3=C(C(=C2O1)Br)NC=C3)Br

InChI

InChI=1S/C9H5Br2NO2/c10-5-4-1-2-12-7(4)6(11)9-8(5)13-3-14-9/h1-2,12H,3H2

InChIKey

QLFRWAZASAPKSB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2923661-84-9

CID: 162642169

Formula: C9H5Br2NO2

MW: 318.95

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	318.95
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	318.86665
Monoisotopic Mass	316.86870
Topological Polar Surface Area	34.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	241
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
T73061-01	Amakusamine