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771572-39-5 | (2-Methyl-4-(trifluoromethoxy);phenyl);methanamine
CAS No: 771572-39-5 Catalog No: AG005DU2 MDL No:MFCD06213547
Product Description
Catalog Number:
AG005DU2
Chemical Name:
(2-Methyl-4-(trifluoromethoxy);phenyl);methanamine
CAS Number:
771572-39-5
Molecular Formula:
C9H10F3NO
Molecular Weight:
205.1770
MDL Number:
MFCD06213547
IUPAC Name:
[2-methyl-4-(trifluoromethoxy)phenyl]methanamine
InChI:
InChI=1S/C9H10F3NO/c1-6-4-8(14-9(10,11)12)3-2-7(6)5-13/h2-4H,5,13H2,1H3
InChI Key:
HKUMMRQOULQYKN-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1C)OC(F)(F)F
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.18g/mol
Monoisotopic Mass:
205.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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