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methylidyne({[4-(trifluoromethoxy)phenyl]methyl})azanium

methylidyne({[4-(trifluoromethoxy)phenyl]methyl})azanium

CAS: 1029634-31-8

Formula: C9H7F3NO

SMILES: FC(F)(F)OC1=CC=C(C[N+]#C)C=C1

IUPAC: methylidyne({[4-(trifluoromethoxy)phenyl]methyl})azanium

InChI: InChI=1S/C9H7F3NO/c1-13-6-7-2-4-8(5-3-7)14-9(10,11)12/h1-5H,6H2/q+1

Composition: C (53.47%), H (3.49%), F (28.19%), N (6.93%), O (7.91%)

Molar Mass: 202.156

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 202.047424759
Formal Charge 1
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey YDTARZAKJFEPTP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.39
Topological Polar Surface Area 13.59
Polarizability 16.22
Ring Count 1
Rotatable Bond Count 3

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