Home Halogens 2-(bromomethyl)-1,3-thiazole-4-carbonitrile

2-(bromomethyl)-1,3-thiazole-4-carbonitrile

CAS No.:
454483-81-9
Catalog Number:
AG01C3IT
Molecular Formula:
C5H3BrN2S
Molecular Weight:
203.0597
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Product Description
Catalog Number:
AG01C3IT
Chemical Name:
2-(bromomethyl)-1,3-thiazole-4-carbonitrile
CAS Number:
454483-81-9
Molecular Formula:
C5H3BrN2S
Molecular Weight:
203.0597
MDL Number:
MFCD24459268
IUPAC Name:
2-(bromomethyl)-1,3-thiazole-4-carbonitrile
InChI:
InChI=1S/C5H3BrN2S/c6-1-5-8-4(2-7)3-9-5/h3H,1H2
InChI Key:
BVHJWNRMSBGEKD-UHFFFAOYSA-N
SMILES:
BrCc1scc(n1)C#N
Properties
Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.92g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.057g/mol
Monoisotopic Mass:
201.92g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties