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88953-12-2 | 1H-Inden-1-one, 2-bromo-2,3,3,5,6-pentafluoro-2,3-dihydro-
CAS No: 88953-12-2 Catalog No: AG00477O MDL No:
Product Description
Catalog Number:
AG00477O
Chemical Name:
1H-Inden-1-one, 2-bromo-2,3,3,5,6-pentafluoro-2,3-dihydro-
CAS Number:
88953-12-2
Molecular Formula:
C9H2BrF5O
Molecular Weight:
301.0076
IUPAC Name:
2-bromo-2,3,3,5,6-pentafluoroinden-1-one
InChI:
InChI=1S/C9H2BrF5O/c10-8(13)7(16)3-1-5(11)6(12)2-4(3)9(8,14)15/h1-2H
InChI Key:
VNZQCFVYNMFHCI-UHFFFAOYSA-N
SMILES:
Fc1cc2c(cc1F)C(=O)C(C2(F)F)(F)Br
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.921g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.01g/mol
Monoisotopic Mass:
299.921g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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