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29079-97-8 | 2-Propenoic acid, 3-(5-broMo-2-thienyl)-
CAS No: 29079-97-8 Catalog No: AG002X8Y MDL No:
Product Description
Catalog Number:
AG002X8Y
Chemical Name:
2-Propenoic acid, 3-(5-broMo-2-thienyl)-
CAS Number:
29079-97-8
Molecular Formula:
C7H5BrO2S
Molecular Weight:
233.0824
IUPAC Name:
3-(5-bromothiophen-2-yl)prop-2-enoic acid
InChI:
InChI=1S/C7H5BrO2S/c8-6-3-1-5(11-6)2-4-7(9)10/h1-4H,(H,9,10)
InChI Key:
UNAWXLDSXIIUFC-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ccc(s1)Br
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.919g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.079g/mol
Monoisotopic Mass:
231.919g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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