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52253-69-7 | 4-Phenylthiazol-2-amine hydrobromide hydrate
CAS No: 52253-69-7 Catalog No: AG003GFX MDL No:MFCD00150083
Product Description
Catalog Number:
AG003GFX
Chemical Name:
4-Phenylthiazol-2-amine hydrobromide hydrate
CAS Number:
52253-69-7
Molecular Formula:
C9H11BrN2OS
Molecular Weight:
275.1654
MDL Number:
MFCD00150083
IUPAC Name:
4-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide
InChI:
InChI=1S/C9H8N2S.BrH.H2O/c10-9-11-8(6-12-9)7-4-2-1-3-5-7;;/h1-6H,(H2,10,11);1H;1H2
InChI Key:
SBVYKOGRUCDICV-UHFFFAOYSA-N
SMILES:
Nc1scc(n1)c1ccccc1.Br.O
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.978g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
275.164g/mol
Monoisotopic Mass:
273.978g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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