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110046-60-1 | 5-BROMO-2,2-BITHIOPHENE-5-CARBOXALDEHYDE
CAS No: 110046-60-1 Catalog No: AG003MG8 MDL No:MFCD01321134
Product Description
Catalog Number:
AG003MG8
Chemical Name:
5-BROMO-2,2-BITHIOPHENE-5-CARBOXALDEHYDE
CAS Number:
110046-60-1
Molecular Formula:
C9H5BrOS2
Molecular Weight:
273.1694
MDL Number:
MFCD01321134
IUPAC Name:
5-(5-bromothiophen-2-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C9H5BrOS2/c10-9-4-3-8(13-9)7-2-1-6(5-11)12-7/h1-5H
InChI Key:
NTHMTYNJFSUBMF-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)c1ccc(s1)Br
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.897g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.162g/mol
Monoisotopic Mass:
271.897g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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