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887575-78-2 | 4-BROMO-2,5-DIMETHYLTHIOPHENE-3-CARBALDEHYDE
CAS No: 887575-78-2 Catalog No: AG01BNPN MDL No:MFCD01859952
Product Description
Catalog Number:
AG01BNPN
Chemical Name:
4-BROMO-2,5-DIMETHYLTHIOPHENE-3-CARBALDEHYDE
CAS Number:
887575-78-2
Molecular Formula:
C7H7BrOS
Molecular Weight:
219.0989
MDL Number:
MFCD01859952
IUPAC Name:
4-bromo-2,5-dimethylthiophene-3-carbaldehyde
InChI:
InChI=1S/C7H7BrOS/c1-4-6(3-9)7(8)5(2)10-4/h3H,1-2H3
InChI Key:
NPQKHLRFRRMFMK-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)sc(c1Br)C
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.94g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.096g/mol
Monoisotopic Mass:
217.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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