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53574-24-6 | 1H,2H,3H,4H-benzo[f]isoquinoline
CAS No: 53574-24-6 Catalog No: AG01A36V MDL No:MFCD16743923
Product Description
Catalog Number:
AG01A36V
Chemical Name:
1H,2H,3H,4H-benzo[f]isoquinoline
CAS Number:
53574-24-6
Molecular Formula:
C13H13N
Molecular Weight:
183.2490
MDL Number:
MFCD16743923
IUPAC Name:
1,2,3,4-tetrahydrobenzo[f]isoquinoline
InChI:
InChI=1S/C13H13N/c1-2-4-12-10(3-1)5-6-11-9-14-8-7-13(11)12/h1-6,14H,7-9H2
InChI Key:
RJAQRZMCFUMCIL-UHFFFAOYSA-N
SMILES:
C1NCc2c(C1)c1ccccc1cc2
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.254g/mol
Monoisotopic Mass:
183.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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