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28771-82-6 | Thiazole, 5-bromo-4-methyl-2-phenyl-
CAS No: 28771-82-6 Catalog No: AG002WFK MDL No:MFCD04974049
Product Description
Catalog Number:
AG002WFK
Chemical Name:
Thiazole, 5-bromo-4-methyl-2-phenyl-
CAS Number:
28771-82-6
Molecular Formula:
C10H8BrNS
Molecular Weight:
254.1462
MDL Number:
MFCD04974049
IUPAC Name:
5-bromo-4-methyl-2-phenyl-1,3-thiazole
InChI:
InChI=1S/C10H8BrNS/c1-7-9(11)13-10(12-7)8-5-3-2-4-6-8/h2-6H,1H3
InChI Key:
XNYKJKJMPCGEQI-UHFFFAOYSA-N
SMILES:
Cc1nc(sc1Br)c1ccccc1
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.956g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.145g/mol
Monoisotopic Mass:
252.956g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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