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tert-butyl (2S)-2-[(tert-butoxycarbonyl)amino]-6-chloro-5-oxohexanoate

tert-butyl (2S)-2-[(tert-butoxycarbonyl)amino]-6-chloro-5-oxohexanoate

CAS: 1251904-60-5

Formula: C15H26ClNO5

SMILES: CC(C)(C)OC(=O)N[C@@H](CCC(=O)CCl)C(=O)OC(C)(C)C

IUPAC: tert-butyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-6-chloro-5-oxohexanoate

InChI: InChI=1S/C15H26ClNO5/c1-14(2,3)21-12(19)11(8-7-10(18)9-16)17-13(20)22-15(4,5)6/h11H,7-9H2,1-6H3,(H,17,20)/t11-/m0/s1

Composition: C (53.65%), H (7.80%), Cl (10.56%), N (4.17%), O (23.82%)

Molar Mass: 335.83

Atom Count: 48

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 335.1499506
Formal Charge 0
FSP3 0.8
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey YAVBUNUPPHQFPT-NSHDSACASA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.04
Topological Polar Surface Area 81.7
Polarizability 33.03
Ring Count 0
Rotatable Bond Count 10

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1251904-60-5 $2,200.00-$5,040.00$2,200.00$3,300.00$5,040.00
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