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2-[(tert-butoxycarbonyl)(methyl)amino]benzoic acid

2-[(tert-butoxycarbonyl)(methyl)amino]benzoic acid

CAS: 141871-02-5

Formula: C13H17NO4

SMILES: CN(C(=O)OC(C)(C)C)C1=C(C=CC=C1)C(O)=O

IUPAC: 2-{[(tert-butoxy)carbonyl](methyl)amino}benzoic acid

InChI: InChI=1S/C13H17NO4/c1-13(2,3)18-12(17)14(4)10-8-6-5-7-9(10)11(15)16/h5-8H,1-4H3,(H,15,16)

Composition: C (62.14%), H (6.82%), N (5.57%), O (25.47%)

Molar Mass: 251.282

Atom Count: 35

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 251.115758031
Formal Charge 0
FSP3 0.38
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey UXLICAHPTWWCII-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.72
Topological Polar Surface Area 66.84
Polarizability 25.63
Ring Count 1
Rotatable Bond Count 4

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95% <5 Days 141871-02-5 $647.00-$834.00$647.00$834.00
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