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Home > Bromides > 1014983-33-5
1014983-33-5 | 1H-1,2,4-Triazole, 5-(5-bromo-2-thiazolyl)-1-methyl-
CAS No: 1014983-33-5 Catalog No: AG0004ML MDL No:MFCD18801010
Product Description
Catalog Number:
AG0004ML
Chemical Name:
1H-1,2,4-Triazole, 5-(5-bromo-2-thiazolyl)-1-methyl-
CAS Number:
1014983-33-5
Molecular Formula:
C6H5BrN4S
Molecular Weight:
245.0997
MDL Number:
MFCD18801010
IUPAC Name:
5-bromo-2-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole
InChI:
InChI=1S/C6H5BrN4S/c1-11-5(9-3-10-11)6-8-2-4(7)12-6/h2-3H,1H3
InChI Key:
WATOFHSMGRCXRR-UHFFFAOYSA-N
SMILES:
Cn1ncnc1c1ncc(s1)Br
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.942g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.098g/mol
Monoisotopic Mass:
243.942g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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