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951886-14-9 | 2-Bromo-3-(5-Ethoxycarbonyl-2-thienyl)-1-propene
CAS No: 951886-14-9 Catalog No: AG01EZOC MDL No:
Product Description
Catalog Number:
AG01EZOC
Chemical Name:
2-Bromo-3-(5-Ethoxycarbonyl-2-thienyl)-1-propene
CAS Number:
951886-14-9
Molecular Formula:
C10H11BrO2S
Molecular Weight:
275.1621
IUPAC Name:
ethyl 5-(2-bromoprop-2-enyl)thiophene-2-carboxylate
InChI:
InChI=1S/C10H11BrO2S/c1-3-13-10(12)9-5-4-8(14-9)6-7(2)11/h4-5H,2-3,6H2,1H3
InChI Key:
RWLVPCKZFBIQKC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(s1)CC(=C)Br
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.966g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.16g/mol
Monoisotopic Mass:
273.966g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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