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192638-50-9 | Thiazole, 2-(bromomethyl)-4-(5-phenylpentyl)-
CAS No: 192638-50-9 Catalog No: AG002G59 MDL No:
Product Description
Catalog Number:
AG002G59
Chemical Name:
Thiazole, 2-(bromomethyl)-4-(5-phenylpentyl)-
CAS Number:
192638-50-9
Molecular Formula:
C15H18BrNS
Molecular Weight:
324.2791
IUPAC Name:
2-(bromomethyl)-4-(5-phenylpentyl)-1,3-thiazole
InChI:
InChI=1S/C15H18BrNS/c16-11-15-17-14(12-18-15)10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,12H,2,5-6,9-11H2
InChI Key:
XXQHERPNVDTEQP-UHFFFAOYSA-N
SMILES:
BrCc1scc(n1)CCCCCc1ccccc1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.034g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.28g/mol
Monoisotopic Mass:
323.034g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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