Home Other Building Blocks 4,6-DICHLORO-2H-1-BENZOTHIINE-3-CARBALDEHYDE

4,6-DICHLORO-2H-1-BENZOTHIINE-3-CARBALDEHYDE

CAS No.:
54949-15-4
Catalog Number:
AG00D8GN
Molecular Formula:
C10H6Cl2OS
Molecular Weight:
245.1250
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Product Description
Catalog Number:
AG00D8GN
Chemical Name:
4,6-DICHLORO-2H-1-BENZOTHIINE-3-CARBALDEHYDE
CAS Number:
54949-15-4
Molecular Formula:
C10H6Cl2OS
Molecular Weight:
245.1250
MDL Number:
MFCD00084993
IUPAC Name:
4,6-dichloro-2H-thiochromene-3-carbaldehyde
InChI:
InChI=1S/C10H6Cl2OS/c11-7-1-2-9-8(3-7)10(12)6(4-13)5-14-9/h1-4H,5H2
InChI Key:
DJCRJCROFFNHCT-UHFFFAOYSA-N
SMILES:
ClC1=C(CSc2c1cc(Cl)cc2)C=O
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.952g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.117g/mol
Monoisotopic Mass:
243.952g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties