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38239-46-2 | 5-Bromo-3-methylthiophene-2-carbaldehyde
CAS No: 38239-46-2 Catalog No: AG003MIJ MDL No:MFCD10000783
Product Description
Catalog Number:
AG003MIJ
Chemical Name:
5-Bromo-3-methylthiophene-2-carbaldehyde
CAS Number:
38239-46-2
Molecular Formula:
C6H5BrOS
Molecular Weight:
205.0723
MDL Number:
MFCD10000783
IUPAC Name:
5-bromo-3-methylthiophene-2-carbaldehyde
InChI:
InChI=1S/C6H5BrOS/c1-4-2-6(7)9-5(4)3-8/h2-3H,1H3
InChI Key:
NIXUUECXYHZKTI-UHFFFAOYSA-N
SMILES:
O=Cc1sc(cc1C)Br
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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