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Home > Fluorides > 1228077-92-6
1228077-92-6 | Carbamic acid, N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-, 9H-fluoren-9-ylmethyl ester
CAS No: 1228077-92-6 Catalog No: AG000JIW MDL No:MFCD15144743
Product Description
Catalog Number:
AG000JIW
Chemical Name:
Carbamic acid, N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-, 9H-fluoren-9-ylmethyl ester
CAS Number:
1228077-92-6
Molecular Formula:
C22H25NO3
Molecular Weight:
351.4388
MDL Number:
MFCD15144743
IUPAC Name:
9H-fluoren-9-ylmethyl N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]carbamate
InChI:
InChI=1S/C22H25NO3/c24-21-12-6-1-7-15(21)13-23-22(25)26-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,15,20-21,24H,1,6-7,12-14H2,(H,23,25)/t15-,21+/m0/s1
InChI Key:
DLDUSAROVXDNNQ-YCRPNKLZSA-N
SMILES:
O=C(NC[C@@H]1CCCC[C@H]1O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
351.183g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.446g/mol
Monoisotopic Mass:
351.183g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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