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201470-17-9 | Ethanone, 2-bromo-1-(5-thiazolyl)-
CAS No: 201470-17-9 Catalog No: AG002DG7 MDL No:MFCD13173057
Product Description
Catalog Number:
AG002DG7
Chemical Name:
Ethanone, 2-bromo-1-(5-thiazolyl)-
CAS Number:
201470-17-9
Molecular Formula:
C5H4BrNOS
Molecular Weight:
206.0604
MDL Number:
MFCD13173057
IUPAC Name:
2-bromo-1-(1,3-thiazol-5-yl)ethanone
InChI:
InChI=1S/C5H4BrNOS/c6-1-4(8)5-2-7-3-9-5/h2-3H,1H2
InChI Key:
ZKRUDPZDHZBPDZ-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cncs1
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.92g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.057g/mol
Monoisotopic Mass:
204.92g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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