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124316-00-3 | 1H-Benzotriazole-1-methanamine, N-(triphenylphosphoranylidene)-
CAS No: 124316-00-3 Catalog No: AG000LTM MDL No:
Product Description
Catalog Number:
AG000LTM
Chemical Name:
1H-Benzotriazole-1-methanamine, N-(triphenylphosphoranylidene)-
CAS Number:
124316-00-3
Molecular Formula:
C25H21N4P
Molecular Weight:
408.4348
IUPAC Name:
benzotriazol-1-ylmethylimino(triphenyl)-λ5-phosphane
InChI:
InChI=1S/C25H21N4P/c1-4-12-21(13-5-1)30(22-14-6-2-7-15-22,23-16-8-3-9-17-23)26-20-29-25-19-11-10-18-24(25)27-28-29/h1-19H,20H2
InChI Key:
IOSUDUVEOWKKBL-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)P(=NCn1nnc2c1cccc2)(c1ccccc1)c1ccccc1
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.15g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.445g/mol
Monoisotopic Mass:
408.15g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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