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ethyl 5-bromo-2-phenyl-1,3-thiazole-4-carboxylate

ethyl 5-bromo-2-phenyl-1,3-thiazole-4-carboxylate

CAS: 914347-21-0

Formula: C12H10BrNO2S

SMILES: CCOC(=O)C1=C(Br)SC(=N1)C1=CC=CC=C1

IUPAC: ethyl 5-bromo-2-phenyl-1,3-thiazole-4-carboxylate

InChI: InChI=1S/C12H10BrNO2S/c1-2-16-12(15)9-10(13)17-11(14-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3

Composition: C (46.17%), H (3.23%), Br (25.60%), N (4.49%), O (10.25%), S (10.27%)

Molar Mass: 312.18

Atom Count: 27

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 310.961563
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ONAJVAODOMRERW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.55
Topological Polar Surface Area 39.19
Polarizability 27.54
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 914347-21-0 $1,960.00-$4,838.00$1,960.00$3,168.00$4,838.00
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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 914347-21-0 $113.49-$566.19$113.49$324.08$566.19
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