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Home > Aldehydes > 894851-60-6
894851-60-6 | 3-chloro-4-fluoro-1-benzothiophene-2-carbaldehyde
CAS No: 894851-60-6 Catalog No: AG01EM79 MDL No:MFCD27931710
Product Description
Catalog Number:
AG01EM79
Chemical Name:
3-chloro-4-fluoro-1-benzothiophene-2-carbaldehyde
CAS Number:
894851-60-6
Molecular Formula:
C9H4ClFOS
Molecular Weight:
214.6439
MDL Number:
MFCD27931710
IUPAC Name:
3-chloro-4-fluoro-1-benzothiophene-2-carbaldehyde
InChI:
InChI=1S/C9H4ClFOS/c10-9-7(4-12)13-6-3-1-2-5(11)8(6)9/h1-4H
InChI Key:
DMEDPDOTVXSPMI-UHFFFAOYSA-N
SMILES:
O=Cc1sc2c(c1Cl)c(F)ccc2
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.966g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.638g/mol
Monoisotopic Mass:
213.966g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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