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71150-05-5 | (2E)-4-(5-Bromothiophen-2-yl)-4-oxobut-2-enoic acid
CAS No: 71150-05-5 Catalog No: AG01EX23 MDL No:
Product Description
Catalog Number:
AG01EX23
Chemical Name:
(2E)-4-(5-Bromothiophen-2-yl)-4-oxobut-2-enoic acid
CAS Number:
71150-05-5
Molecular Formula:
C8H5BrO3S
Molecular Weight:
261.0925
IUPAC Name:
(E)-4-(5-bromothiophen-2-yl)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C8H5BrO3S/c9-7-3-2-6(13-7)5(10)1-4-8(11)12/h1-4H,(H,11,12)/b4-1+
InChI Key:
SFZKEGQWZPJTQR-DAFODLJHSA-N
SMILES:
OC(=O)/C=C/C(=O)c1ccc(s1)Br
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
259.914g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.089g/mol
Monoisotopic Mass:
259.914g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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