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113511-22-1 | 2-Thiazolamine, 5-bromo-4-phenyl-, hydrobromide (1:1)
CAS No: 113511-22-1 Catalog No: AG0008UF MDL No:MFCD09972265
Product Description
Catalog Number:
AG0008UF
Chemical Name:
2-Thiazolamine, 5-bromo-4-phenyl-, hydrobromide (1:1)
CAS Number:
113511-22-1
Molecular Formula:
C9H8Br2N2S
Molecular Weight:
336.0462
MDL Number:
MFCD09972265
IUPAC Name:
5-bromo-4-phenyl-1,3-thiazol-2-amine;hydrobromide
InChI:
InChI=1S/C9H7BrN2S.BrH/c10-8-7(12-9(11)13-8)6-4-2-1-3-5-6;/h1-5H,(H2,11,12);1H
InChI Key:
FMKHSRXOMBJZEA-UHFFFAOYSA-N
SMILES:
Nc1sc(c(n1)c1ccccc1)Br.Br
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.875g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.045g/mol
Monoisotopic Mass:
333.877g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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