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Compound 1360934-00-4

CAT: 0931-TPL0154-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-TPL0154-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1360934-00-4
Purity
0.9958
Bioactivity
Compound 1360934-00-4, with CAS No. 1360934-00-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound 1360934-00-4 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
Clc1cc(Br)c2nc[nH]c2c1
Molecular Formula
C7H4BrClN2
Molecular Weight
231.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-Bromo-5-chloro-1H-benzimidazole
CAS Number1360934-00-4
PubChem CID86684137
IUPAC Name4-bromo-6-chloro-1H-benzimidazole
Molecular FormulaC7H4BrClN2
Molecular Weight231.48
XLogP2.8
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity155
SMILES
C1=C(C=C(C2=C1NC=N2)Br)Cl
InChI
InChI=1S/C7H4BrClN2/c8-5-1-4(9)2-6-7(5)11-3-10-6/h1-3H,(H,10,11)
InChIKey
RHDGVHIUGAGINX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Bromo-5-chloro-1H-benzimidazole
CAS: 1360934-00-4
CID: 86684137
Formula: C7H4BrClN2
MW: 231.48
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.48
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass229.92464
Monoisotopic Mass229.92464
Topological Polar Surface Area28.7 Ų
Heavy Atom Count11
Formal Charge0
Complexity155
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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