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1171027-89-6 | 2-Thiazolamine, 5-bromo-4-(4-fluorophenyl)-, hydrobromide (1:1)
CAS No: 1171027-89-6 Catalog No: AG000DQM MDL No:MFCD09972237
Product Description
Catalog Number:
AG000DQM
Chemical Name:
2-Thiazolamine, 5-bromo-4-(4-fluorophenyl)-, hydrobromide (1:1)
CAS Number:
1171027-89-6
Molecular Formula:
C9H7Br2FN2S
Molecular Weight:
354.0367
MDL Number:
MFCD09972237
IUPAC Name:
5-bromo-4-(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
InChI:
InChI=1S/C9H6BrFN2S.BrH/c10-8-7(13-9(12)14-8)5-1-3-6(11)4-2-5;/h1-4H,(H2,12,13);1H
InChI Key:
KITZPFDEJQCUAY-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1nc(sc1Br)N.Br
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.866g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
354.035g/mol
Monoisotopic Mass:
351.868g/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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