2-amino-4-tert-butylbenzoic acid

2-amino-4-tert-butylbenzoic acid

CAS: 728945-64-0

Formula: C11H15NO2

SMILES: CC(C)(C)C1=CC=C(C(O)=O)C(N)=C1

IUPAC: 2-amino-4-tert-butylbenzoic acid

InChI: InChI=1S/C11H15NO2/c1-11(2,3)7-4-5-8(10(13)14)9(12)6-7/h4-6H,12H2,1-3H3,(H,13,14)

Composition: C (68.37%), H (7.82%), N (7.25%), O (16.56%)

Molar Mass: 193.246

Atom Count: 29

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	193.110278727
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	XLIGRZYQIUYNDR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.68
Topological Polar Surface Area	63.32
Polarizability	21.08
Ring Count	1
Rotatable Bond Count	2

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