Home Halogens tert-butyl N-[3-bromo-2-(4-fluorophenyl)propyl]carbamate

tert-butyl N-[3-bromo-2-(4-fluorophenyl)propyl]carbamate

CAS No.:
1909317-22-1
Catalog Number:
AG01C1XX
Molecular Formula:
C14H19BrFNO2
Molecular Weight:
332.2086
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Product Description
Catalog Number:
AG01C1XX
Chemical Name:
tert-butyl N-[3-bromo-2-(4-fluorophenyl)propyl]carbamate
CAS Number:
1909317-22-1
Molecular Formula:
C14H19BrFNO2
Molecular Weight:
332.2086
MDL Number:
MFCD29762677
IUPAC Name:
tert-butyl N-[3-bromo-2-(4-fluorophenyl)propyl]carbamate
InChI:
InChI=1S/C14H19BrFNO2/c1-14(2,3)19-13(18)17-9-11(8-15)10-4-6-12(16)7-5-10/h4-7,11H,8-9H2,1-3H3,(H,17,18)
InChI Key:
OANOJKAXOQQSNN-UHFFFAOYSA-N
SMILES:
BrCC(c1ccc(cc1)F)CNC(=O)OC(C)(C)C
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.058g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
332.213g/mol
Monoisotopic Mass:
331.058g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties