Home Nitriles 2-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetonitrile hydrobromide

2-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetonitrile hydrobromide

CAS No.:
1197837-00-5
Catalog Number:
AG019WYN
Molecular Formula:
C10H8BrN3S
Molecular Weight:
282.1596
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Product Description
Catalog Number:
AG019WYN
Chemical Name:
2-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetonitrile hydrobromide
CAS Number:
1197837-00-5
Molecular Formula:
C10H8BrN3S
Molecular Weight:
282.1596
MDL Number:
MFCD13195898
IUPAC Name:
2-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetonitrile;hydrobromide
InChI:
InChI=1S/C10H7N3S.BrH/c11-4-1-10-13-9(7-14-10)8-2-5-12-6-3-8;/h2-3,5-7H,1H2;1H
InChI Key:
VSHKSFZUNWBHKP-UHFFFAOYSA-N
SMILES:
N#CCc1scc(n1)c1ccncc1.Br
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.962g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
282.159g/mol
Monoisotopic Mass:
280.962g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties