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1622921-15-6 | Benzonitrile, 4-[2-(2-cyclopentylidenehydrazinyl)-4-thiazolyl]-, hydrobromide (1:1)
CAS No: 1622921-15-6 Catalog No: AG001SYV MDL No:MFCD28137688
Product Description
Catalog Number:
AG001SYV
Chemical Name:
Benzonitrile, 4-[2-(2-cyclopentylidenehydrazinyl)-4-thiazolyl]-, hydrobromide (1:1)
CAS Number:
1622921-15-6
Molecular Formula:
C15H15BrN4S
Molecular Weight:
363.2754
MDL Number:
MFCD28137688
IUPAC Name:
4-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile;hydrobromide
InChI:
InChI=1S/C15H14N4S.BrH/c16-9-11-5-7-12(8-6-11)14-10-20-15(17-14)19-18-13-3-1-2-4-13;/h5-8,10H,1-4H2,(H,17,19);1H
InChI Key:
XNWBCMSPDCSWSD-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1csc(n1)NN=C1CCCC1.Br
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.02g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
363.277g/mol
Monoisotopic Mass:
362.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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