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4- (3-Bromophenyl) -2-chlorothiazole

CAT: 0127-OR1057310-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1057310-01Size:100 mg
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CAS Number
1188037-87-7
MDL Number
MFCD11220001
Purity
97%
Smiles
ClC1=NC(C2=CC=CC(Br)=C2)=CS1

Chemical Information

4-(3-Bromophenyl)-2-chlorothiazole
CAS Number1188037-87-7
PubChem CID62942715
IUPAC Name4-(3-bromophenyl)-2-chloro-1,3-thiazole
Molecular FormulaC9H5BrClNS
Molecular Weight274.57
XLogP4.3
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity181
SMILES
C1=CC(=CC(=C1)Br)C2=CSC(=N2)Cl
InChI
InChI=1S/C9H5BrClNS/c10-7-3-1-2-6(4-7)8-5-13-9(11)12-8/h1-5H
InChIKey
FGCHXDIQMZWJGA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3-Bromophenyl)-2-chlorothiazole
CAS: 1188037-87-7
CID: 62942715
Formula: C9H5BrClNS
MW: 274.57
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.57
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass272.90146
Monoisotopic Mass272.90146
Topological Polar Surface Area41.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity181
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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