Phosphorodiamidicchloride, N,N'-diphenyl- (7CI,8CI,9CI)(CAS No. 5625-99-0)

Details:

【Name】
Phosphorodiamidicchloride, N,N'-diphenyl- (7CI,8CI,9CI)
【Iupac name】
N-[anilino(chloro)phosphoryl]aniline
【CAS Registry number】
5625-99-0
【Synonyms】
N,N'-Diphenyldiamidophosphoricchloride
N,N'-Diphenylphosphorodiamidic chloride
NSC 57566
Phosphine oxide,chlorobis(phenylamino)-
Phosphoric acid dianilide chloride
【EINECS(EC#)】
227-063-9
【Molecular Formula】
C12H12 Cl N2 O P (Products with the same molecular formula)
【Molecular Weight】
266.663241
【Inchi】
InChI=1/C12H12ClN2OP/c13-17(16,14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
【Canonical SMILES】
C1=CC=C(C=C1)NP(=O)(NC2=CC=CC=C2)Cl
【MOL File】
5625-99-0.mol
Chemical and Physical Properties
【Density】
1.39g/cm3
【Boiling Point】
382.5°Cat760mmHg
【Refractive Index】
1.675
【Flash Point】
185.1°C
【Computed Properties】
Molecular Weight:266.663241 [g/mol]
Molecular Formula:C12H12ClN2OP
XLogP3-AA:3.9
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:4
Tautomer Count:2
Exact Mass:266.037577
MonoIsotopic Mass:266.037577
Topological Polar Surface Area:41.1
Heavy Atom Count:17
Formal Charge:0
Complexity:252
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 Ring Count:2
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:27