Home Other Building Blocks 2-((TERT-BUTOXYCARBONYL)AMINO)-2-(3-CHLORO-4-FLUOROPHENYL)ACETIC ACID

2-((TERT-BUTOXYCARBONYL)AMINO)-2-(3-CHLORO-4-FLUOROPHENYL)ACETIC ACID

CAS No.:
1038817-56-9
Catalog Number:
AG01EKDT
Molecular Formula:
C13H15ClFNO4
Molecular Weight:
303.7139
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Product Description
Catalog Number:
AG01EKDT
Chemical Name:
2-((TERT-BUTOXYCARBONYL)AMINO)-2-(3-CHLORO-4-FLUOROPHENYL)ACETIC ACID
CAS Number:
1038817-56-9
Molecular Formula:
C13H15ClFNO4
Molecular Weight:
303.7139
MDL Number:
MFCD07186276
IUPAC Name:
2-(3-chloro-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
InChI:
InChI=1S/C13H15ClFNO4/c1-13(2,3)20-12(19)16-10(11(17)18)7-4-5-9(15)8(14)6-7/h4-6,10H,1-3H3,(H,16,19)(H,17,18)
InChI Key:
FGKFRJIBXJOTLF-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(c1ccc(c(c1)Cl)F)C(=O)O
Properties
Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.067g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
303.714g/mol
Monoisotopic Mass:
303.067g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties