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129762-45-4 | Benz[f]isoquinoline, 1,2-dihydro-2,2,4-trimethyl-
CAS No: 129762-45-4 Catalog No: AG000TNU MDL No:
Product Description
Catalog Number:
AG000TNU
Chemical Name:
Benz[f]isoquinoline, 1,2-dihydro-2,2,4-trimethyl-
CAS Number:
129762-45-4
Molecular Formula:
C16H17N
Molecular Weight:
223.3129
IUPAC Name:
2,2,4-trimethyl-1H-benzo[f]isoquinoline
InChI:
InChI=1S/C16H17N/c1-11-13-9-8-12-6-4-5-7-14(12)15(13)10-16(2,3)17-11/h4-9H,10H2,1-3H3
InChI Key:
FJZXLTGNJMUUFM-UHFFFAOYSA-N
SMILES:
CC1=NC(C)(C)Cc2c1ccc1c2cccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.319g/mol
Monoisotopic Mass:
223.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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