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4-chloro-5-ethynylpyrimidin-2-amine

4-chloro-5-ethynylpyrimidin-2-amine

CAS: 1392804-24-8

Formula: C6H4ClN3

SMILES: NC1=NC=C(C#C)C(Cl)=N1

IUPAC: 4-chloro-5-ethynylpyrimidin-2-amine

InChI: InChI=1S/C6H4ClN3/c1-2-4-3-9-6(8)10-5(4)7/h1,3H,(H2,8,9,10)

Composition: C (46.93%), H (2.63%), Cl (23.08%), N (27.36%)

Molar Mass: 153.57

Atom Count: 14

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 153.0093748
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LXSANWYOFLTJJB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.41
Topological Polar Surface Area 51.8
Polarizability 14.26
Ring Count 1
Rotatable Bond Count 0

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97% <7 Days 1392804-24-8 $435.74-$695.52$435.74$695.52
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97% <6 Days 1392804-24-8 $410.55-$1,639.90$410.55$656.65$1,093.65$1,639.90
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