Home Halogens 8-(chloromethyl)-6-fluoro-2-phenyl-2,4-dihydro-1,3-benzodioxine

8-(chloromethyl)-6-fluoro-2-phenyl-2,4-dihydro-1,3-benzodioxine

CAS No.:
730992-77-5
Catalog Number:
AG00ICCU
Molecular Formula:
C15H12ClFO2
Molecular Weight:
278.7060
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Product Description
Catalog Number:
AG00ICCU
Chemical Name:
8-(chloromethyl)-6-fluoro-2-phenyl-2,4-dihydro-1,3-benzodioxine
CAS Number:
730992-77-5
Molecular Formula:
C15H12ClFO2
Molecular Weight:
278.7060
MDL Number:
MFCD04624266
IUPAC Name:
8-(chloromethyl)-6-fluoro-2-phenyl-4H-1,3-benzodioxine
InChI:
InChI=1S/C15H12ClFO2/c16-8-11-6-13(17)7-12-9-18-15(19-14(11)12)10-4-2-1-3-5-10/h1-7,15H,8-9H2
InChI Key:
BBKOMRVUJRZUOI-UHFFFAOYSA-N
SMILES:
ClCc1cc(F)cc2c1OC(OC2)c1ccccc1
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.051g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.707g/mol
Monoisotopic Mass:
278.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties