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tert-butyl N-[2-chloro-3-(2-hydroxyethyl)pyridin-4-yl]carbamate

tert-butyl N-[2-chloro-3-(2-hydroxyethyl)pyridin-4-yl]carbamate

CAS: 494767-21-4

Formula: C12H17ClN2O3

SMILES: CC(C)(C)OC(=O)NC1=C(CCO)C(Cl)=NC=C1

IUPAC: tert-butyl N-[2-chloro-3-(2-hydroxyethyl)pyridin-4-yl]carbamate

InChI: InChI=1S/C12H17ClN2O3/c1-12(2,3)18-11(17)15-9-4-6-14-10(13)8(9)5-7-16/h4,6,16H,5,7H2,1-3H3,(H,14,15,17)

Composition: C (52.85%), H (6.28%), Cl (13.00%), N (10.27%), O (17.60%)

Molar Mass: 272.73

Atom Count: 35

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 272.0927701
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey MVYYXYGZHXDYHT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.63
Topological Polar Surface Area 71.45
Polarizability 26.76
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS UnitPrice
98% <10 Days 494767-21-4 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 494767-21-4 $68.09-$566.19$68.09$175.28$566.19
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