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Home > Aldehydes > 189331-47-3
189331-47-3 | 2-Thiophenecarboxaldehyde, 5-bromo-4-methyl-
CAS No: 189331-47-3 Catalog No: AG002IBA MDL No:MFCD06657807
Product Description
Catalog Number:
AG002IBA
Chemical Name:
2-Thiophenecarboxaldehyde, 5-bromo-4-methyl-
CAS Number:
189331-47-3
Molecular Formula:
C6H5BrOS
Molecular Weight:
205.0723
MDL Number:
MFCD06657807
IUPAC Name:
5-bromo-4-methylthiophene-2-carbaldehyde
InChI:
InChI=1S/C6H5BrOS/c1-4-2-5(3-8)9-6(4)7/h2-3H,1H3
InChI Key:
FATNNNCLTSHUQL-UHFFFAOYSA-N
SMILES:
O=Cc1cc(c(s1)Br)C
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.924g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.069g/mol
Monoisotopic Mass:
203.924g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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