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CAS No.:
2136287-66-4
Catalog Number:
AG01DYA3
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01DYA3
CAS Number:
2136287-66-4
MDL Number:
MFCD31706271
IUPAC Name:
7,8-difluoro-6H-benzo[c][1]benzothiepin-11-one
InChI:
InChI=1S/C14H8F2OS/c15-11-6-5-8-10(13(11)16)7-18-12-4-2-1-3-9(12)14(8)17/h1-6H,7H2
InChI Key:
NDIAEKBJODOUBP-UHFFFAOYSA-N
Properties
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.026g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.274g/mol
Monoisotopic Mass:
262.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties