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tert-butyl N-[(4-chloro-5-fluoropyrimidin-2-yl)methyl]carbamate

tert-butyl N-[(4-chloro-5-fluoropyrimidin-2-yl)methyl]carbamate

CAS: 1240601-49-3

Formula: C10H13ClFN3O2

SMILES: CC(C)(C)OC(=O)NCC1=NC=C(F)C(Cl)=N1

IUPAC: tert-butyl N-[(4-chloro-5-fluoropyrimidin-2-yl)methyl]carbamate

InChI: InChI=1S/C10H13ClFN3O2/c1-10(2,3)17-9(16)14-5-7-13-4-6(12)8(11)15-7/h4H,5H2,1-3H3,(H,14,16)

Composition: C (45.90%), H (5.01%), Cl (13.55%), F (7.26%), N (16.06%), O (12.23%)

Molar Mass: 261.68

Atom Count: 30

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 261.0680325
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey CDNUPLTUOZXOIX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.66
Topological Polar Surface Area 64.11
Polarizability 23.32
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1240601-49-3 $1,472.00-$7,912.00$1,472.00$2,162.00$7,912.00
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