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1145685-65-9 | 2H-1-Benzopyran-4-amine, 3,4-dihydro-8-(trifluoromethyl)-, (4R)-
CAS No: 1145685-65-9 Catalog No: AG000EPE MDL No:MFCD11035768
Product Description
Catalog Number:
AG000EPE
Chemical Name:
2H-1-Benzopyran-4-amine, 3,4-dihydro-8-(trifluoromethyl)-, (4R)-
CAS Number:
1145685-65-9
Molecular Formula:
C10H10F3NO
Molecular Weight:
217.1877
MDL Number:
MFCD11035768
IUPAC Name:
(4R)-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
InChI:
InChI=1S/C10H10F3NO/c11-10(12,13)7-3-1-2-6-8(14)4-5-15-9(6)7/h1-3,8H,4-5,14H2/t8-/m1/s1
InChI Key:
SZKIIVYBHMLAKJ-MRVPVSSYSA-N
SMILES:
N[C@@H]1CCOc2c1cccc2C(F)(F)F
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
217.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.191g/mol
Monoisotopic Mass:
217.071g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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