Home Carboxys tert-butyl 2-amino-4-phenylthiophene-3-carboxylate

tert-butyl 2-amino-4-phenylthiophene-3-carboxylate

CAS No.:
944578-51-2
Catalog Number:
AG01C9RC
Molecular Formula:
C15H17NO2S
Molecular Weight:
275.3660
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Product Description
Catalog Number:
AG01C9RC
Chemical Name:
tert-butyl 2-amino-4-phenylthiophene-3-carboxylate
CAS Number:
944578-51-2
Molecular Formula:
C15H17NO2S
Molecular Weight:
275.3660
MDL Number:
MFCD25731483
IUPAC Name:
tert-butyl 2-amino-4-phenylthiophene-3-carboxylate
InChI:
InChI=1S/C15H17NO2S/c1-15(2,3)18-14(17)12-11(9-19-13(12)16)10-7-5-4-6-8-10/h4-9H,16H2,1-3H3
InChI Key:
USIZETBQENNKCX-UHFFFAOYSA-N
SMILES:
O=C(c1c(N)scc1c1ccccc1)OC(C)(C)C
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.098g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
275.366g/mol
Monoisotopic Mass:
275.098g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties