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1086600-20-5 | tert-Butyl N-[(1R)-1-(2-bromo-4-fluorophenyl)ethyl]carbamate
CAS No: 1086600-20-5 Catalog No: AG01F6KZ MDL No:
Product Description
Catalog Number:
AG01F6KZ
Chemical Name:
tert-Butyl N-[(1R)-1-(2-bromo-4-fluorophenyl)ethyl]carbamate
CAS Number:
1086600-20-5
Molecular Formula:
C13H17BrFNO2
Molecular Weight:
318.1820
IUPAC Name:
tert-butyl N-[(1R)-1-(2-bromo-4-fluorophenyl)ethyl]carbamate
InChI:
InChI=1S/C13H17BrFNO2/c1-8(16-12(17)18-13(2,3)4)10-6-5-9(15)7-11(10)14/h5-8H,1-4H3,(H,16,17)/t8-/m1/s1
InChI Key:
FZJZVHFDACTDDT-MRVPVSSYSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](c1ccc(cc1Br)F)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
317.043g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.186g/mol
Monoisotopic Mass:
317.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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