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284493-72-7 | 3-((tert-Butoxycarbonyl);amino);-3-(4-fluorophenyl);propanoic acid
CAS No: 284493-72-7 Catalog No: AG003IRQ MDL No:MFCD02090715
Product Description
Catalog Number:
AG003IRQ
Chemical Name:
3-((tert-Butoxycarbonyl);amino);-3-(4-fluorophenyl);propanoic acid
CAS Number:
284493-72-7
Molecular Formula:
C14H18FNO4
Molecular Weight:
283.2954
MDL Number:
MFCD02090715
IUPAC Name:
3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H18FNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)
InChI Key:
WRVBNEFIXONNFA-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccc(cc1)F)NC(=O)OC(C)(C)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.299g/mol
Monoisotopic Mass:
283.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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