RX871024

CAT: 0926-SFA87284-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-SFA87284-03Size:100 mg

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

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CAS Number

142872-84-2

Smiles

C1CN=C (N1) C2=CC3=CC=CC=C3N2C4=CC=CC=C4.Cl

Molecular Formula

C17H16ClN3

Molecular Weight

297.8 g/mol

Controlled

Chemical Information

CID 91885462

CAS Number	142872-84-2
PubChem CID	91885462
IUPAC Name	2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylindole;hydrochloride
Molecular Formula	C17H16ClN3
Molecular Weight	297.8
Topological Polar Surface Area	29.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	372

SMILES

C1CN=C(N1)C2=CC3=CC=CC=C3N2C4=CC=CC=C4.Cl

InChI

InChI=1S/C17H15N3.ClH/c1-2-7-14(8-3-1)20-15-9-5-4-6-13(15)12-16(20)17-18-10-11-19-17;/h1-9,12H,10-11H2,(H,18,19);1H

InChIKey

FVYANZLHBVHWTM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 142872-84-2

CID: 91885462

Formula: C17H16ClN3

MW: 297.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	297.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	297.1032752
Monoisotopic Mass	297.1032752
Topological Polar Surface Area	29.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	372
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	2
Compound Is Canonicalized	Yes