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tert-butyl N-[(4-chlorophenyl)(²H?)methyl]carbamate

tert-butyl N-[(4-chlorophenyl)(²H?)methyl]carbamate

CAS: 2204460-17-1

Formula: C12H16ClNO2

SMILES: [2H]C([2H])(NC(=O)OC(C)(C)C)C1=CC=C(Cl)C=C1

IUPAC: tert-butyl N-[(4-chlorophenyl)(²H?)methyl]carbamate

InChI: InChI=1S/C12H16ClNO2/c1-12(2,3)16-11(15)14-8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3,(H,14,15)/i8D2

Composition: C (59.14%), H (5.79%), [2H] (1.65%), Cl (14.54%), N (5.75%), O (13.13%)

Molar Mass: 243.73

Atom Count: 32

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 243.09951
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey DWKFLKALAMAVJY-MGVXTIMCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.21
Topological Polar Surface Area 38.33
Polarizability 25.15
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 2204460-17-1 $235.87-$825.55$235.87$412.78$825.55
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