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1312212-81-9 | Carbamic acid, N-[(1S)-1-(chlorocarbonyl)-3-buten-1-yl]-, 9H-fluoren-9-ylmethyl ester
CAS No: 1312212-81-9 Catalog No: AG000VRA MDL No:
Product Description
Catalog Number:
AG000VRA
Chemical Name:
Carbamic acid, N-[(1S)-1-(chlorocarbonyl)-3-buten-1-yl]-, 9H-fluoren-9-ylmethyl ester
CAS Number:
1312212-81-9
Molecular Formula:
C20H18ClNO3
Molecular Weight:
355.8148
IUPAC Name:
9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)-N-prop-2-enylcarbamate
InChI:
InChI=1S/C20H18ClNO3/c1-2-11-22(12-19(21)23)20(24)25-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18H,1,11-13H2
InChI Key:
UGZWUFMJGADFOM-UHFFFAOYSA-N
SMILES:
C=CC[C@@H](C(=O)Cl)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.098g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.818g/mol
Monoisotopic Mass:
355.098g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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