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2-[(tert-butoxycarbonyl)amino]-3-(2-fluoro-4-hydroxyphenyl)propanoic acid

2-[(tert-butoxycarbonyl)amino]-3-(2-fluoro-4-hydroxyphenyl)propanoic acid

CAS: 1131871-03-8

Formula: C14H18FNO5

SMILES: CC(C)(C)OC(=O)NC(CC1=CC=C(O)C=C1F)C(O)=O

IUPAC: 2-{[(tert-butoxy)carbonyl]amino}-3-(2-fluoro-4-hydroxyphenyl)propanoic acid

InChI: InChI=1/C14H18FNO5/c1-14(2,3)21-13(20)16-11(12(18)19)6-8-4-5-9(17)7-10(8)15/h4-5,7,11,17H,6H2,1-3H3,(H,16,20)(H,18,19)

Composition: C (56.18%), H (6.06%), F (6.35%), N (4.68%), O (26.73%)

Molar Mass: 299.298

Atom Count: 39

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 299.116900847
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey WEICTNRFBRIIRB-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.19
Topological Polar Surface Area 95.86
Polarizability 27.91
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1131871-03-8 $917.70-$5,497.00$917.70$1,472.00$5,497.00
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