Home Halogens 2-bromo-3-[(1,3-thiazol-2-yl)imino]propanal

2-bromo-3-[(1,3-thiazol-2-yl)imino]propanal

CAS No.:
1394045-25-0
Catalog Number:
AG019ZJE
Molecular Formula:
C6H5BrN2OS
Molecular Weight:
233.0857
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Product Description
Catalog Number:
AG019ZJE
Chemical Name:
2-bromo-3-[(1,3-thiazol-2-yl)imino]propanal
CAS Number:
1394045-25-0
Molecular Formula:
C6H5BrN2OS
Molecular Weight:
233.0857
MDL Number:
MFCD22375237
IUPAC Name:
2-bromo-3-(1,3-thiazol-2-ylimino)propanal
InChI:
InChI=1S/C6H5BrN2OS/c7-5(4-10)3-9-6-8-1-2-11-6/h1-5H
InChI Key:
AAAXJPLFDZTYTN-UHFFFAOYSA-N
SMILES:
O=CC(C=Nc1nccs1)Br
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.931g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.083g/mol
Monoisotopic Mass:
231.931g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.5  
Properties