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(R)-[(tert-butoxycarbonyl)amino](3-chlorophenyl)acetic acid

(R)-[(tert-butoxycarbonyl)amino](3-chlorophenyl)acetic acid

CAS: 926641-28-3

Formula: C13H16ClNO4

SMILES: CC(C)(C)OC(=O)N[C@@H](C(O)=O)C1=CC(Cl)=CC=C1

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

InChI: InChI=1S/C13H16ClNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-5-4-6-9(14)7-8/h4-7,10H,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1

Composition: C (54.65%), H (5.64%), Cl (12.41%), N (4.90%), O (22.40%)

Molar Mass: 285.72

Atom Count: 35

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 285.0767857
Formal Charge 0
FSP3 0.38
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey BGMKFLAFNZFBBB-SNVBAGLBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.04
Topological Polar Surface Area 75.63
Polarizability 27.58
Ring Count 1
Rotatable Bond Count 5

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