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210490-49-6 | Thiazole, 4-bromo-5-methyl-2-phenyl-
CAS No: 210490-49-6 Catalog No: AG002KT6 MDL No:
Product Description
Catalog Number:
AG002KT6
Chemical Name:
Thiazole, 4-bromo-5-methyl-2-phenyl-
CAS Number:
210490-49-6
Molecular Formula:
C10H8BrNS
Molecular Weight:
254.1462
IUPAC Name:
4-bromo-5-methyl-2-phenyl-4,5-dihydro-1,3-thiazole
InChI:
InChI=1S/C10H10BrNS/c1-7-9(11)12-10(13-7)8-5-3-2-4-6-8/h2-7,9H,1H3
InChI Key:
JPLSERDMYKZGAF-UHFFFAOYSA-N
SMILES:
Brc1nc(sc1C)c1ccccc1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.972g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.161g/mol
Monoisotopic Mass:
254.972g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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