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116985-76-3

116985-76-3 | 3H-1,2,3,4-Triazaphosphole, 5-(1,1-dimethylethyl)-3-(1-naphthalenyl)-

CAS No: 116985-76-3 Catalog No: AG000DGK MDL No:

Product Description

Catalog Number:
AG000DGK
Chemical Name:
3H-1,2,3,4-Triazaphosphole, 5-(1,1-dimethylethyl)-3-(1-naphthalenyl)-
CAS Number:
116985-76-3
Molecular Formula:
C15H16N3P
Molecular Weight:
269.2814
IUPAC Name:
5-tert-butyl-3-naphthalen-1-yltriazaphosphole
InChI:
InChI=1S/C15H16N3P/c1-15(2,3)14-16-17-18(19-14)13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,1-3H3
InChI Key:
YOFSKAIRKWOPTC-UHFFFAOYSA-N
SMILES:
CC(C1=PN(N=N1)c1cccc2c1cccc2)(C)C

Properties

Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.108g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.288g/mol
Monoisotopic Mass:
269.108g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  

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