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138305-85-8 | Isoquinoline, (naphthalenylmethyl)- (9CI)
CAS No: 138305-85-8 Catalog No: AG0018HS MDL No:
Product Description
Catalog Number:
AG0018HS
Chemical Name:
Isoquinoline, (naphthalenylmethyl)- (9CI)
CAS Number:
138305-85-8
Molecular Formula:
C20H15N
Molecular Weight:
269.3398
IUPAC Name:
1-(naphthalen-1-ylmethyl)isoquinoline
InChI:
InChI=1S/C20H15N/c1-3-10-18-15(6-1)8-5-9-17(18)14-20-19-11-4-2-7-16(19)12-13-21-20/h1-13H,14H2
InChI Key:
LZQBBXZITOGRDB-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c(ccc2)Cc1nccc2c1cccc2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.12g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.347g/mol
Monoisotopic Mass:
269.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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