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166403-69-6 | Thiazole, 2-(7-bromoheptyl)-4-methyl-
CAS No: 166403-69-6 Catalog No: AG001WPI MDL No:
Product Description
Catalog Number:
AG001WPI
Chemical Name:
Thiazole, 2-(7-bromoheptyl)-4-methyl-
CAS Number:
166403-69-6
Molecular Formula:
C11H18BrNS
Molecular Weight:
276.2363
IUPAC Name:
2-(7-bromoheptyl)-4-methyl-1,3-thiazole
InChI:
InChI=1S/C11H18BrNS/c1-10-9-14-11(13-10)7-5-3-2-4-6-8-12/h9H,2-8H2,1H3
InChI Key:
WVFKZFRDHAKQEK-UHFFFAOYSA-N
SMILES:
BrCCCCCCCc1scc(n1)C
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.034g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.236g/mol
Monoisotopic Mass:
275.034g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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