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20958-78-5 | Pyrrolo[2,1-a]isoquinoline, 3-phenyl-
CAS No: 20958-78-5 Catalog No: AG002KAO MDL No:
Product Description
Catalog Number:
AG002KAO
Chemical Name:
Pyrrolo[2,1-a]isoquinoline, 3-phenyl-
CAS Number:
20958-78-5
Molecular Formula:
C18H13N
Molecular Weight:
243.3025
IUPAC Name:
3-phenylpyrrolo[2,1-a]isoquinoline
InChI:
InChI=1S/C18H13N/c1-2-7-15(8-3-1)17-10-11-18-16-9-5-4-6-14(16)12-13-19(17)18/h1-13H
InChI Key:
UZQPFYCFSVHWSU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccc2n1ccc1c2cccc1
NSC Number:
131464
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.309g/mol
Monoisotopic Mass:
243.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
4.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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