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173406-59-2 | 1,3,4-Thiadiazole, 2-(3-bromophenyl)-5-methyl-
CAS No: 173406-59-2 Catalog No: AG001YVA MDL No:MFCD08691469
Product Description
Catalog Number:
AG001YVA
Chemical Name:
1,3,4-Thiadiazole, 2-(3-bromophenyl)-5-methyl-
CAS Number:
173406-59-2
Molecular Formula:
C9H7BrN2S
Molecular Weight:
255.1343
MDL Number:
MFCD08691469
IUPAC Name:
2-(3-bromophenyl)-5-methyl-1,3,4-thiadiazole
InChI:
InChI=1S/C9H7BrN2S/c1-6-11-12-9(13-6)7-3-2-4-8(10)5-7/h2-5H,1H3
InChI Key:
NYKLGKJGFPPRHX-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)c1nnc(s1)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.951g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.133g/mol
Monoisotopic Mass:
253.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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