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4- (2-Chlorophenyl) -2-methylthiazole

CAT: 0127-OR350079Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
777853-12-0
MDL Number
MFCD08832472
Purity
=95%
Smiles
Cc1nc(cs1)c2ccccc2Cl

Chemical Information

4-(2-Chlorophenyl)-2-methylthiazole
CAS Number777853-12-0
PubChem CID2806809
IUPAC Name4-(2-chlorophenyl)-2-methyl-1,3-thiazole
Molecular FormulaC10H8ClNS
Molecular Weight209.70
XLogP3.6
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity176
SMILES
CC1=NC(=CS1)C2=CC=CC=C2Cl
InChI
InChI=1S/C10H8ClNS/c1-7-12-10(6-13-7)8-4-2-3-5-9(8)11/h2-6H,1H3
InChIKey
ATVDZANKURJFKL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Chlorophenyl)-2-methylthiazole
CAS: 777853-12-0
CID: 2806809
Formula: C10H8ClNS
MW: 209.70
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight209.70
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass209.0065981
Monoisotopic Mass209.0065981
Topological Polar Surface Area41.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity176
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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