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2-amino-5-tert-butylbenzoic acid

2-amino-5-tert-butylbenzoic acid

CAS: 2475-77-6

Formula: C11H15NO2

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

IUPAC: 2-amino-5-tert-butylbenzoic acid

InChI: InChI=1S/C11H15NO2/c1-11(2,3)7-4-5-9(12)8(6-7)10(13)14/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 ULCQYHAVDRBIAG-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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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 2475-77-6 $171.35-$2,748.50$171.35$227.70$342.70$457.70$687.70$2,748.50
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