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6-Bromoimidazo[1,2-a]pyridine(CAS No. 6188-23-4)

6-Bromoimidazo[1,2-a]pyridine C7H5BrN2 (cas 6188-23-4) Molecular Structure

6188-23-4 Structure

Identification and Related Records

【Name】
6-Bromoimidazo[1,2-a]pyridine
【Iupac name】
6-bromoimidazo[1,2-a]pyridine
【CAS Registry number】
6188-23-4
【Synonyms】
Imidazo[1,2-a]pyridine,6-bromo-
【Molecular Formula】
C7H5BrN2 (Products with the same molecular formula)
【Molecular Weight】
197.03
【Inchi】
InChI=1/C7H5BrN2/c8-6-1-2-7-9-3-4-10(7)5-6/h1-5H
【Canonical SMILES】
C1=CC2=NC=CN2C=C1Br
【MOL File】
6188-23-4.mol

Chemical and Physical Properties

【Density】
1.69 g/cm3
【Melting Point】
76-78℃
【Refractive Index】
1.688
【Computed Properties】
Molecular Weight:197.032 [g/mol]
Molecular Formula:C7H5BrN2
XLogP3-AA:2.5
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:0
Exact Mass:195.963611
MonoIsotopic Mass:195.963611
Topological Polar Surface Area:17.3
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
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xn:Harmful;
【Risk Statements】
R22;R36/37/38
【Safety Statements 】
S22;S26;S36/37/39
【HazardClass】
IRRITANT
【Hazard Note】
Harmful

Supplier Location

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