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18791-79-2 | 3-Thiophenecarboxaldehyde, 5-bromo-
CAS No: 18791-79-2 Catalog No: AG002GKT MDL No:MFCD09042555
Product Description
Catalog Number:
AG002GKT
Chemical Name:
3-Thiophenecarboxaldehyde, 5-bromo-
CAS Number:
18791-79-2
Molecular Formula:
C5H3BrOS
Molecular Weight:
191.0457
MDL Number:
MFCD09042555
IUPAC Name:
5-bromothiophene-3-carbaldehyde
InChI:
InChI=1S/C5H3BrOS/c6-5-1-4(2-7)3-8-5/h1-3H
InChI Key:
ZKLBPUYMTHPNOQ-UHFFFAOYSA-N
SMILES:
O=Cc1csc(c1)Br
Properties
Complexity:
96.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.909g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.042g/mol
Monoisotopic Mass:
189.909g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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