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138622-44-3 | 9H-Carbazole, 9-methyl-3-(2-phenylethynyl)-
CAS No: 138622-44-3 Catalog No: AG0018VY MDL No:
Product Description
Catalog Number:
AG0018VY
Chemical Name:
9H-Carbazole, 9-methyl-3-(2-phenylethynyl)-
CAS Number:
138622-44-3
Molecular Formula:
C21H15N
Molecular Weight:
281.3505
IUPAC Name:
9-methyl-3-(2-phenylethynyl)carbazole
InChI:
InChI=1S/C21H15N/c1-22-20-10-6-5-9-18(20)19-15-17(13-14-21(19)22)12-11-16-7-3-2-4-8-16/h2-10,13-15H,1H3
InChI Key:
WKRPRGAQNWNDAB-UHFFFAOYSA-N
SMILES:
Cn1c2ccc(cc2c2c1cccc2)C#Cc1ccccc1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.12g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.358g/mol
Monoisotopic Mass:
281.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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