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141368-24-3 | 9H-Fluorene-9-carbonitrile, 9-[3-(acetyloxy)propyl]-2-bromo-
CAS No: 141368-24-3 Catalog No: AG001GAV MDL No:
Product Description
Catalog Number:
AG001GAV
Chemical Name:
9H-Fluorene-9-carbonitrile, 9-[3-(acetyloxy)propyl]-2-bromo-
CAS Number:
141368-24-3
Molecular Formula:
C19H16BrNO2
Molecular Weight:
370.2398
IUPAC Name:
3-(2-bromo-9-cyanofluoren-9-yl)propyl acetate
InChI:
InChI=1S/C19H16BrNO2/c1-13(22)23-10-4-9-19(12-21)17-6-3-2-5-15(17)16-8-7-14(20)11-18(16)19/h2-3,5-8,11H,4,9-10H2,1H3
InChI Key:
CPAPNYZDAFCAPB-UHFFFAOYSA-N
SMILES:
N#CC1(CCCOC(=O)C)c2ccccc2c2c1cc(Br)cc2
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.036g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.246g/mol
Monoisotopic Mass:
369.036g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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