SY-LB-35

CAT: 0607-BA6437-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6437-10Size:10 mg

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

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CAS Number

2603461-70-5

Form

A solid

Molecular Formula

C15H11N3O

Molecular Weight

249.27

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

CID 164885346

CAS Number	2603461-70-5
PubChem CID	164885346
IUPAC Name	2-(1H-benzimidazol-2-yl)-1H-indol-5-ol
Molecular Formula	C15H11N3O
Molecular Weight	249.27
XLogP	3
Topological Polar Surface Area	64.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	19
Formal Charge	0
Complexity	337

SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC4=C(N3)C=CC(=C4)O

InChI

InChI=1S/C15H11N3O/c19-10-5-6-11-9(7-10)8-14(16-11)15-17-12-3-1-2-4-13(12)18-15/h1-8,16,19H,(H,17,18)

InChIKey

MIVGVAZQKUNNAM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2603461-70-5

CID: 164885346

Formula: C15H11N3O

MW: 249.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	249.27
XLogP3	3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	249.090211983
Monoisotopic Mass	249.090211983
Topological Polar Surface Area	64.7 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	337
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