Home Carboxys 2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-5-fluoro-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid

2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-5-fluoro-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid

CAS No.:
2138004-27-8
Catalog Number:
AG01ELGV
Molecular Formula:
C25H20FNO4
Molecular Weight:
417.4290
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Product Description
Catalog Number:
AG01ELGV
Chemical Name:
2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-5-fluoro-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
CAS Number:
2138004-27-8
Molecular Formula:
C25H20FNO4
Molecular Weight:
417.4290
MDL Number:
MFCD31590182
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonyl)-5-fluoro-3,4-dihydro-1H-isoquinoline-8-carboxylic acid
InChI:
InChI=1S/C25H20FNO4/c26-23-10-9-20(24(28)29)21-13-27(12-11-19(21)23)25(30)31-14-22-17-7-3-1-5-15(17)16-6-2-4-8-18(16)22/h1-10,22H,11-14H2,(H,28,29)
InChI Key:
WAAPHZWFFVWDQP-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)c(ccc2F)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
664  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.138g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
417.436g/mol
Monoisotopic Mass:
417.138g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties