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Home > Fluorides > 1172623-96-9
1172623-96-9 | tert-butyl 1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-ylcarbaMate
CAS No: 1172623-96-9 Catalog No: AG000DZX MDL No:MFCD24470976
Product Description
Catalog Number:
AG000DZX
Chemical Name:
tert-butyl 1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-ylcarbaMate
CAS Number:
1172623-96-9
Molecular Formula:
C16H17F2NO3
Molecular Weight:
309.3079
MDL Number:
MFCD24470976
IUPAC Name:
tert-butyl N-[1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-yl]carbamate
InChI:
InChI=1S/C16H17F2NO3/c1-5-6-13(19-15(21)22-16(2,3)4)14(20)11-9-10(17)7-8-12(11)18/h1,7-9,13H,6H2,2-4H3,(H,19,21)
InChI Key:
FCPUEOMVOKWZQD-UHFFFAOYSA-N
SMILES:
C#CCC(C(=O)c1cc(F)ccc1F)NC(=O)OC(C)(C)C
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.118g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.313g/mol
Monoisotopic Mass:
309.118g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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