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874821-50-8 | (5-Chloro-2-(trifluoromethoxy);phenyl);methanamine
CAS No: 874821-50-8 Catalog No: AG004I6G MDL No:MFCD11519365
Product Description
Catalog Number:
AG004I6G
Chemical Name:
(5-Chloro-2-(trifluoromethoxy);phenyl);methanamine
CAS Number:
874821-50-8
Molecular Formula:
C8H7ClF3NO
Molecular Weight:
225.5955
MDL Number:
MFCD11519365
IUPAC Name:
[5-chloro-2-(trifluoromethoxy)phenyl]methanamine
InChI:
InChI=1S/C8H7ClF3NO/c9-6-1-2-7(5(3-6)4-13)14-8(10,11)12/h1-3H,4,13H2
InChI Key:
JDHHWYYMKYZFOI-UHFFFAOYSA-N
SMILES:
NCc1cc(Cl)ccc1OC(F)(F)F
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.595g/mol
Monoisotopic Mass:
225.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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