2-[(3-tert-butylphenyl)amino]benzoic acid

2-[(3-tert-butylphenyl)amino]benzoic acid

CAS: 17332-54-6

Formula: C17H19NO2

SMILES: CC(C)(C)C1=CC(NC2=CC=CC=C2C(O)=O)=CC=C1

IUPAC: 2-[(3-tert-butylphenyl)amino]benzoic acid

InChI: InChI=1S/C17H19NO2/c1-17(2,3)12-7-6-8-13(11-12)18-15-10-5-4-9-14(15)16(19)20/h4-11,18H,1-3H3,(H,19,20)

Composition: C (75.81%), H (7.11%), N (5.20%), O (11.88%)

Molar Mass: 269.344

Atom Count: 39

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	269.141578856
Formal Charge	0
FSP3	0.24
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	DYNQTSWLMWSBIY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.47
Topological Polar Surface Area	49.33
Polarizability	30.68
Ring Count	2
Rotatable Bond Count	4

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