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(4S)-1-(tert-butoxycarbonyl)-3,3-difluoropiperidine-4-carboxylic acid

(4S)-1-(tert-butoxycarbonyl)-3,3-difluoropiperidine-4-carboxylic acid

CAS: 2197504-56-4

Formula: C11H17F2NO4

SMILES: CC(C)(C)OC(=O)N1CC[C@@H](C(O)=O)C(F)(F)C1

IUPAC: (4S)-1-[(tert-butoxy)carbonyl]-3,3-difluoropiperidine-4-carboxylic acid

InChI: InChI=1S/C11H17F2NO4/c1-10(2,3)18-9(17)14-5-4-7(8(15)16)11(12,13)6-14/h7H,4-6H2,1-3H3,(H,15,16)/t7-/m0/s1

Composition: C (49.81%), H (6.46%), F (14.32%), N (5.28%), O (24.13%)

Molar Mass: 265.257

Atom Count: 35

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 265.112564357
Formal Charge 0
FSP3 0.82
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey HZMYOCGJMSBEDV-ZETCQYMHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.98
Topological Polar Surface Area 66.84
Polarizability 22.45
Ring Count 1
Rotatable Bond Count 3

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Shanghai AQ BioPharma Co., Ltd.
Purity LeadTime CAS UnitPrice
97% <8 Days 2197504-56-4 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 2197504-56-4 $481.70-$772.99$481.70$772.99
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