Home Carboxys tert-Butyl 4-hydroxy-3-methyl-4-(trifluoromethyl)azepane-1-carboxylate

tert-Butyl 4-hydroxy-3-methyl-4-(trifluoromethyl)azepane-1-carboxylate

CAS No.:
1824023-76-8
Catalog Number:
AG00I1CQ
Molecular Formula:
C13H22F3NO3
Molecular Weight:
297.3139
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Product Description
Catalog Number:
AG00I1CQ
Chemical Name:
tert-Butyl 4-hydroxy-3-methyl-4-(trifluoromethyl)azepane-1-carboxylate
CAS Number:
1824023-76-8
Molecular Formula:
C13H22F3NO3
Molecular Weight:
297.3139
MDL Number:
MFCD28119201
IUPAC Name:
tert-butyl 4-hydroxy-3-methyl-4-(trifluoromethyl)azepane-1-carboxylate
InChI:
InChI=1S/C13H22F3NO3/c1-9-8-17(10(18)20-11(2,3)4)7-5-6-12(9,19)13(14,15)16/h9,19H,5-8H2,1-4H3
InChI Key:
ZMTDCSZCEVEBCD-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C(C1)C)(O)C(F)(F)F)OC(C)(C)C
Properties
Complexity:
365  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.155g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
297.318g/mol
Monoisotopic Mass:
297.155g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties