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Home > Bromides > 1254558-78-5
1254558-78-5 | 4-Thiazoleacetonitrile, 2-bromo-
CAS No: 1254558-78-5 Catalog No: AG000NPL MDL No:
Product Description
Catalog Number:
AG000NPL
Chemical Name:
4-Thiazoleacetonitrile, 2-bromo-
CAS Number:
1254558-78-5
Molecular Formula:
C5H3BrN2S
Molecular Weight:
203.0597
IUPAC Name:
2-(2-bromo-1,3-thiazol-4-yl)acetonitrile
InChI:
InChI=1S/C5H3BrN2S/c6-5-8-4(1-2-7)3-9-5/h3H,1H2
InChI Key:
SDZVWJBEDJCDLZ-UHFFFAOYSA-N
SMILES:
Brc1nc(cs1)CC#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:
1.7
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