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2-[(tert-butoxycarbonyl)amino]-3-(2-chlorophenyl)propanoic acid

2-[(tert-butoxycarbonyl)amino]-3-(2-chlorophenyl)propanoic acid

CAS: 114873-02-8

Formula: C14H18ClNO4

SMILES: CC(C)(C)OC(=O)NC(CC1=C(Cl)C=CC=C1)C(O)=O

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

InChI: InChI=1/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)

Composition: C (56.10%), H (6.05%), Cl (11.83%), N (4.67%), O (21.35%)

Molar Mass: 299.75

Atom Count: 38

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 299.0924358
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey TUUQJNHCVFJMPU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.79
Topological Polar Surface Area 75.63
Polarizability 29.42
Ring Count 1
Rotatable Bond Count 6

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 114873-02-8 $51.35-$374.73$51.35$63.37$86.31$115.81$170.43$374.73
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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 114873-02-8 $69.12-$568.32$69.12$207.36$568.32
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