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182438-98-8 | 9H-Fluorene-9-carboxamide, 9-(4-bromobutyl)-N-(2,2,2-trifluoroethyl)-
CAS No: 182438-98-8 Catalog No: AG0023W8 MDL No:MFCD27978674
Product Description
Catalog Number:
AG0023W8
Chemical Name:
9H-Fluorene-9-carboxamide, 9-(4-bromobutyl)-N-(2,2,2-trifluoroethyl)-
CAS Number:
182438-98-8
Molecular Formula:
C20H19BrF3NO
Molecular Weight:
426.2702
MDL Number:
MFCD27978674
IUPAC Name:
9-(4-bromobutyl)-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
InChI:
InChI=1S/C20H19BrF3NO/c21-12-6-5-11-19(18(26)25-13-20(22,23)24)16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-4,7-10H,5-6,11-13H2,(H,25,26)
InChI Key:
HAZOEBWGAVOBLO-UHFFFAOYSA-N
SMILES:
BrCCCCC1(C(=O)NCC(F)(F)F)c2ccccc2c2c1cccc2
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.06g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
426.277g/mol
Monoisotopic Mass:
425.06g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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