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71132-42-8 | Methyl (2E)-4-(5-Bromothiophen-2-yl)-4-oxobut-2-enoate
CAS No: 71132-42-8 Catalog No: AG01F83P MDL No:
Product Description
Catalog Number:
AG01F83P
Chemical Name:
Methyl (2E)-4-(5-Bromothiophen-2-yl)-4-oxobut-2-enoate
CAS Number:
71132-42-8
Molecular Formula:
C9H7BrO3S
Molecular Weight:
275.1191
IUPAC Name:
methyl (E)-4-(5-bromothiophen-2-yl)-4-oxobut-2-enoate
InChI:
InChI=1S/C9H7BrO3S/c1-13-9(12)5-2-6(11)7-3-4-8(10)14-7/h2-5H,1H3/b5-2+
InChI Key:
LISDIPNKGGRFHS-GORDUTHDSA-N
SMILES:
COC(=O)/C=C/C(=O)c1ccc(s1)Br
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
273.93g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.116g/mol
Monoisotopic Mass:
273.93g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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