2-Chlorobenzimidazole

CAT: 0926-FC02849-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FC02849-01Size:25 g

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CAS Number

4857-06-1

MDL Number

MFCD00051944

Smiles

Clc1nc2ccccc2[nH]1

Molecular Formula

C7H5ClN2

Molecular Weight

152.58 g/mol

Controlled

Chemical Information

2-Chlorobenzimidazole

CAS Number	4857-06-1
PubChem CID	78572
IUPAC Name	2-chloro-1H-benzimidazole
Molecular Formula	C7H5ClN2
Molecular Weight	152.58
XLogP	2.2
Topological Polar Surface Area	28.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	129

SMILES

C1=CC=C2C(=C1)NC(=N2)Cl

InChI

InChI=1S/C7H5ClN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)

InChIKey

AYPSHJCKSDNETA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4857-06-1

CID: 78572

Formula: C7H5ClN2

MW: 152.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.58
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	152.0141259
Monoisotopic Mass	152.0141259
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	129
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
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AAC81537-01	2- (2,2,2-Trifluoroethoxy) propanenitrile
IGA88442-01	2- (2,2,2-Trifluoroethyl) benzaldehyde
HCA63104-01	2- (2,2,2-Trifluoroethyl) aniline
KJD25151-01	2-Ethynylbicyclo[2.2.2]octane

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