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4-amino-2-(trifluoromethyl)phenol

4-amino-2-(trifluoromethyl)phenol

CAS: 1535-76-8

Formula: C7H6F3NO

SMILES: NC1=CC=C(O)C(=C1)C(F)(F)F

IUPAC: 4-amino-2-(trifluoromethyl)phenol

InChI: InChI=1S/C7H6F3NO/c8-7(9,10)5-3-4(11)1-2-6(5)12/h1-3,12H,11H2

Composition: C (47.47%), H (3.41%), F (32.18%), N (7.91%), O (9.03%)

Molar Mass: 177.126

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 177.040148306
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey OHNDAXCVWUKVHF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.71
Topological Polar Surface Area 46.25
Polarizability 13.38
Ring Count 1
Rotatable Bond Count 1

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