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2,4-Dibromothiazole-5-methanol

CAT: 0127-OR1070411-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1070411-01Size:250 mg
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CAS Number
170232-68-5
MDL Number
MFCD09953521
Purity
95%
Smiles
BrC1=NC(=C(S1)CO)Br

Chemical Information

2,4-Dibromothiazole-5-methanol
CAS Number170232-68-5
PubChem CID10061813
IUPAC Name(2,4-dibromo-1,3-thiazol-5-yl)methanol
Molecular FormulaC4H3Br2NOS
Molecular Weight272.95
XLogP2.2
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity105
SMILES
C(C1=C(N=C(S1)Br)Br)O
InChI
InChI=1S/C4H3Br2NOS/c5-3-2(1-8)9-4(6)7-3/h8H,1H2
InChIKey
KDMYXTBGUWUKHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dibromothiazole-5-methanol
CAS: 170232-68-5
CID: 10061813
Formula: C4H3Br2NOS
MW: 272.95
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight272.95
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass272.82816
Monoisotopic Mass270.83021
Topological Polar Surface Area61.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity105
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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