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Home > Fluorides > 198561-87-4
198561-87-4 | Carbamic acid, N-[(1R)-2-(1,1-dimethylethoxy)-1-(hydroxymethyl)ethyl]-, 9H-fluoren-9-ylmethyl ester
CAS No: 198561-87-4 Catalog No: AG002BMI MDL No:MFCD00235946
Product Description
Catalog Number:
AG002BMI
Chemical Name:
Carbamic acid, N-[(1R)-2-(1,1-dimethylethoxy)-1-(hydroxymethyl)ethyl]-, 9H-fluoren-9-ylmethyl ester
CAS Number:
198561-87-4
Molecular Formula:
C22H27NO4
Molecular Weight:
369.4541
MDL Number:
MFCD00235946
IUPAC Name:
9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamate
InChI:
InChI=1S/C22H27NO4/c1-22(2,3)27-13-15(12-24)23-21(25)26-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20,24H,12-14H2,1-3H3,(H,23,25)/t15-/m1/s1
InChI Key:
CPEHAICNNOERSX-OAHLLOKOSA-N
SMILES:
OC[C@@H](NC(=O)OCC1c2ccccc2c2c1cccc2)COC(C)(C)C
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
369.194g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
369.461g/mol
Monoisotopic Mass:
369.194g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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