GABAA receptor agent 1

CAT: 0127-BUP15293-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15293-01Size:5 mg

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CAS Number

1571-87-5

Purity

=98%

Smiles

[O-][N+](=O)C1=CC=C2N=C(NC2=C1)C1=CC=C(Cl)C=C1

Chemical Information

2-(4-Chlorophenyl)-5-nitrobenzimidazole

CAS Number	1571-87-5
PubChem CID	376353
IUPAC Name	2-(4-chlorophenyl)-6-nitro-1H-benzimidazole
Molecular Formula	C13H8ClN3O2
Molecular Weight	273.67
XLogP	4
Topological Polar Surface Area	74.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	19
Formal Charge	0
Complexity	341

SMILES

C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H8ClN3O2/c14-9-3-1-8(2-4-9)13-15-11-6-5-10(17(18)19)7-12(11)16-13/h1-7H,(H,15,16)

InChIKey

KJXNOHLXULKUIZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1571-87-5

CID: 376353

Formula: C13H8ClN3O2

MW: 273.67

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.67
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	273.0305042
Monoisotopic Mass	273.0305042
Topological Polar Surface Area	74.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	341
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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