3-bromo-1-(2-ethyl-6-methyl-phenyl)pyrrole-2,5-dione 5345-87-9

Details:

Identification and Related Records
【Name】
3-(phenanthren-3-yl)propanehydrazide
【CAS Registry number】
5345-87-9
【Synonyms】
NSC1760
NSC-1760
3-(phenanthren-3-yl)propanehydrazide
AC1Q5PVR
AC1L57TL
NCIStruc1_000108
NCIStruc2_000238
NCI1760
3-(3-phenanthryl)propanohydrazide
3-phenanthren-3-ylpropanehydrazide
AR-1E7910
CCG-37778
NCGC00013013
NCGC00013013-02
NCGC00096140-01
NCI60_001447
3-PHENANTHRENEPROPIONIC ACID, HYDRAZIDE
【Molecular Formula】
C17H16N2O (Products with the same molecular formula)
【Molecular Weight】
264.3217
【Inchi】
InChI=1/C17H16N2O/c18-19-17(20)10-6-12-5-7-14-9-8-13-3-1-2-4-15(13)16(14)11-12/h1-5,7-9,11H,6,10,18H2,(H,19,20)
【Canonical SMILES】
C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)CCC(=O)NN
【MOL File】
5345-87-9.mol
Chemical and Physical Properties
【Density】
1.22g/cm3
【Boiling Point】
559.2°C at 760 mmHg
【Refractive Index】
1.695
【Flash Point】
292°C
【Computed Properties】
Molecular Weight:264.32174 [g/mol]
Molecular Formula:C17H16N2O
XLogP3-AA:3.2
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:264.126263
MonoIsotopic Mass:264.126263
Topological Polar Surface Area:55.1
Heavy Atom Count:20
Formal Charge:0
Complexity:344
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:2
Feature 3D Ring Count:3
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:24