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2- (3-Bromophenyl) thiazole-4-carbaldehyde

CAT: 0127-OR1044839-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1044839-01Size:100 mg
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CAS Number
750624-69-2
MDL Number
MFCD06337054
Purity
95%
Smiles
O=CC1=CSC(C2=CC=CC(Br)=C2)=N1

Chemical Information

2-(3-Bromophenyl)-1,3-thiazole-4-carbaldehyde
CAS Number750624-69-2
PubChem CID2120351
IUPAC Name2-(3-bromophenyl)-1,3-thiazole-4-carbaldehyde
Molecular FormulaC10H6BrNOS
Molecular Weight268.13
XLogP3.1
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity214
SMILES
C1=CC(=CC(=C1)Br)C2=NC(=CS2)C=O
InChI
InChI=1S/C10H6BrNOS/c11-8-3-1-2-7(4-8)10-12-9(5-13)6-14-10/h1-6H
InChIKey
YNXSRZKASQSOPO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Bromophenyl)-1,3-thiazole-4-carbaldehyde
CAS: 750624-69-2
CID: 2120351
Formula: C10H6BrNOS
MW: 268.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.13
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass266.93535
Monoisotopic Mass266.93535
Topological Polar Surface Area58.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity214
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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Alternative Products

CatalogName
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sc-282629A2- (4-Bromophenyl) thiazole-4-carbaldehyde
sc-2738082- (3-bromophenyl) -1,3-thiazole-4-carbaldehyde
265799-012- (2-Bromophenyl) thiazole-4-carbaldehyde
229359-012- (3-Bromophenyl) thiazole-4-carbaldehyde ≥97% (HPLC)
229442-012- (4-Bromophenyl) thiazole-4-carbaldehyde ≥95% (HPLC)
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FBA21650-014- (3-Bromophenyl) -1,3-thiazole
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