Home Aldehydes 7-fluoro-1,3-benzothiazole-2-carbaldehyde

7-fluoro-1,3-benzothiazole-2-carbaldehyde

CAS No.:
1784001-90-6
Catalog Number:
AG01DYXO
Molecular Formula:
C8H4FNOS
Molecular Weight:
181.1869
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Product Description
Catalog Number:
AG01DYXO
Chemical Name:
7-fluoro-1,3-benzothiazole-2-carbaldehyde
CAS Number:
1784001-90-6
Molecular Formula:
C8H4FNOS
Molecular Weight:
181.1869
MDL Number:
MFCD31616957
IUPAC Name:
7-fluoro-1,3-benzothiazole-2-carbaldehyde
InChI:
InChI=1S/C8H4FNOS/c9-5-2-1-3-6-8(5)12-7(4-11)10-6/h1-4H
InChI Key:
FROUTQVGDBLQRG-UHFFFAOYSA-N
SMILES:
O=Cc1nc2c(s1)c(F)ccc2
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.184g/mol
Monoisotopic Mass:
181g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties