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86120-11-8 | 9H-Fluorene-9-carbonitrile, 9-(nitromethyl)-
CAS No: 86120-11-8 Catalog No: AG004P2X MDL No:
Product Description
Catalog Number:
AG004P2X
Chemical Name:
9H-Fluorene-9-carbonitrile, 9-(nitromethyl)-
CAS Number:
86120-11-8
Molecular Formula:
C15H10N2O2
Molecular Weight:
250.2521
IUPAC Name:
9-(nitromethyl)fluorene-9-carbonitrile
InChI:
InChI=1S/C15H10N2O2/c16-9-15(10-17(18)19)13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8H,10H2
InChI Key:
XPENNSJSOIMDLX-UHFFFAOYSA-N
SMILES:
N#CC1(C[N+](=O)[O-])c2ccccc2c2c1cccc2
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.257g/mol
Monoisotopic Mass:
250.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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