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1199781-37-7 | Carbamic acid, N-[2-(3-fluorophenyl)-1-(hydroxymethyl)ethyl]-, 1,1-dimethylethyl ester
CAS No: 1199781-37-7 Catalog No: AG000PXY MDL No:
Product Description
Catalog Number:
AG000PXY
Chemical Name:
Carbamic acid, N-[2-(3-fluorophenyl)-1-(hydroxymethyl)ethyl]-, 1,1-dimethylethyl ester
CAS Number:
1199781-37-7
Molecular Formula:
C14H20FNO3
Molecular Weight:
269.3119
IUPAC Name:
tert-butyl N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]carbamate
InChI:
InChI=1S/C14H20FNO3/c1-14(2,3)19-13(18)16-12(9-17)8-10-5-4-6-11(15)7-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)
InChI Key:
HFOFNJNYQFXYDX-UHFFFAOYSA-N
SMILES:
OCC(Cc1cccc(c1)F)NC(=O)OC(C)(C)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.143g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.316g/mol
Monoisotopic Mass:
269.143g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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