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Home > Fluorides > 872691-75-3
872691-75-3 | Bicyclo[4.1.0]hepta-1,3,5-triene, 3,4-difluoro-
CAS No: 872691-75-3 Catalog No: AG004LTI MDL No:
Product Description
Catalog Number:
AG004LTI
Chemical Name:
Bicyclo[4.1.0]hepta-1,3,5-triene, 3,4-difluoro-
CAS Number:
872691-75-3
Molecular Formula:
C7H4F2
Molecular Weight:
126.1035
IUPAC Name:
3,4-difluorobicyclo[4.1.0]hepta-1,3,5-triene
InChI:
InChI=1S/C7H4F2/c8-6-2-4-1-5(4)3-7(6)9/h2-3H,1H2
InChI Key:
GEAQLIWZLYZOFD-UHFFFAOYSA-N
SMILES:
Fc1cc2Cc2cc1F
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.028g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.106g/mol
Monoisotopic Mass:
126.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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