BI-10

CAT: 0013-GTR19186445-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19186445-02Size:50 mg

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Description

BI-10

CAS Number

2759037-58-4

Field of Research

Infectious Disease & Virology

Smiles

C (C=1C=2C (NC1) =CC=CC2) (C=3C=4C (NC3) =CC=CC4) C5=C (O) C (Br) =CC=C5

Molecular Formula

C23H17BrN2O

Molecular Weight

417.3

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

2-Bromo-6-(di(1H-indol-3-yl)methyl)phenol

CAS Number	2759037-58-4
PubChem CID	163196463
IUPAC Name	2-[bis(1H-indol-3-yl)methyl]-6-bromophenol
Molecular Formula	C23H17BrN2O
Molecular Weight	417.3
XLogP	5.9
Topological Polar Surface Area	51.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	27
Formal Charge	0
Complexity	485

SMILES

C1=CC=C2C(=C1)C(=CN2)C(C3=C(C(=CC=C3)Br)O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C23H17BrN2O/c24-19-9-5-8-16(23(19)27)22(17-12-25-20-10-3-1-6-14(17)20)18-13-26-21-11-4-2-7-15(18)21/h1-13,22,25-27H

InChIKey

WCNNKLPTJGOEQP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2759037-58-4

CID: 163196463

Formula: C23H17BrN2O

MW: 417.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	417.3
XLogP3	5.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	416.05243
Monoisotopic Mass	416.05243
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	485
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

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