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Home > Fluorides > 123622-29-7
123622-29-7 | Carbamic acid, (4-nitrophenyl)-, 9H-fluoren-9-ylmethyl ester (9CI)
CAS No: 123622-29-7 Catalog No: AG000KWE MDL No:
Product Description
Catalog Number:
AG000KWE
Chemical Name:
Carbamic acid, (4-nitrophenyl)-, 9H-fluoren-9-ylmethyl ester (9CI)
CAS Number:
123622-29-7
Molecular Formula:
C21H16N2O4
Molecular Weight:
360.3627
IUPAC Name:
9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate
InChI:
InChI=1S/C21H16N2O4/c24-21(22-14-9-11-15(12-10-14)23(25)26)27-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20H,13H2,(H,22,24)
InChI Key:
CUZAHPCOLQTEBR-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)[N+](=O)[O-])OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.111g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.369g/mol
Monoisotopic Mass:
360.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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