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1260890-04-7 | 1-Pyrrolidinecarboxylic acid, 3-(aminomethyl)-4-methyl-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
CAS No: 1260890-04-7 Catalog No: AG000RIW MDL No:
Product Description
Catalog Number:
AG000RIW
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(aminomethyl)-4-methyl-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
CAS Number:
1260890-04-7
Molecular Formula:
C12H21F3N2O2
Molecular Weight:
282.3025
IUPAC Name:
1-[(4-bromophenyl)methoxy]-2-chloro-4-[(E)-2-nitroethenyl]benzene
InChI:
InChI=1S/C15H11BrClNO3/c16-13-4-1-12(2-5-13)10-21-15-6-3-11(9-14(15)17)7-8-18(19)20/h1-9H,10H2/b8-7+
InChI Key:
CKJBHFJHHCHNLC-BQYQJAHWSA-N
SMILES:
NCC1(CN(CC1C)C(=O)OC(C)(C)C)C(F)(F)F
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
366.961g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.611g/mol
Monoisotopic Mass:
366.961g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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