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2-(4-bromophenyl)-2-oxoethyl 4-(2-methyl-1,3-thiazol-4-yl)benzoate

2-(4-bromophenyl)-2-oxoethyl 4-(2-methyl-1,3-thiazol-4-yl)benzoate

Formula: C19H14BrNO3S

SMILES: CC1=NC(=CS1)C1=CC=C(C=C1)C(=O)OCC(=O)C1=CC=C(Br)C=C1

IUPAC: 2-(4-bromophenyl)-2-oxoethyl 4-(2-methyl-1,3-thiazol-4-yl)benzoate

InChI: InChI=1S/C19H14BrNO3S/c1-12-21-17(11-25-12)13-2-4-15(5-3-13)19(23)24-10-18(22)14-6-8-16(20)9-7-14/h2-9,11H,10H2,1H3

Composition: C (54.82%), H (3.39%), Br (19.19%), N (3.36%), O (11.53%), S (7.70%)

Molar Mass: 416.29

Atom Count: 39

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 414.987777
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey WINBJQCCTSYBIE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.02
Topological Polar Surface Area 56.26
Polarizability 39.45
Ring Count 3
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H14BrNO3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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