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ethyl (2E)-3-(4-bromothiophen-2-yl)prop-2-enoate

ethyl (2E)-3-(4-bromothiophen-2-yl)prop-2-enoate

CAS: 945589-08-2

Formula: C9H9BrO2S

SMILES: CCOC(=O)C=CC1=CC(Br)=CS1

IUPAC: ethyl (2E)-3-(4-bromothiophen-2-yl)prop-2-enoate

InChI: InChI=1S/C9H9BrO2S/c1-2-12-9(11)4-3-8-5-7(10)6-13-8/h3-6H,2H2,1H3/b4-3+

Composition: C (41.40%), H (3.47%), Br (30.60%), O (12.25%), S (12.28%)

Molar Mass: 261.13

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 259.950664
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey TWDQFDCXBLRQDR-ONEGZZNKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.09
Topological Polar Surface Area 26.3
Polarizability 21.64
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 945589-08-2 $206.39-$2,476.66$206.39$353.81$825.55$2,476.66
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