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126420-94-8 | 1H-Phenanthro[9,10-b]azirine, 1a,9b-dihydro-1-[(4-methylphenyl)methyl]-
CAS No: 126420-94-8 Catalog No: AG000SS2 MDL No:
Product Description
Catalog Number:
AG000SS2
Chemical Name:
1H-Phenanthro[9,10-b]azirine, 1a,9b-dihydro-1-[(4-methylphenyl)methyl]-
CAS Number:
126420-94-8
Molecular Formula:
C22H19N
Molecular Weight:
297.3930
IUPAC Name:
1-[(4-methylphenyl)methyl]-1a,9b-dihydrophenanthro[9,10-b]azirine
InChI:
InChI=1S/C22H19N/c1-15-10-12-16(13-11-15)14-23-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22(21)23/h2-13,21-22H,14H2,1H3
InChI Key:
NTQYGHHSHQTSRR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)CN1C2C1c1ccccc1c1c2cccc1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.401g/mol
Monoisotopic Mass:
297.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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