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4-chloro-5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidine

4-chloro-5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidine

CAS: 2095393-19-2

Formula: C19H11Cl2N3O2

SMILES: ClC1=C2C(NC=C2C(=O)C2=CC=C(OC3=CC=CC=C3)C=C2Cl)=NC=N1

IUPAC: 4-chloro-5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidine

InChI: InChI=1S/C19H11Cl2N3O2/c20-15-8-12(26-11-4-2-1-3-5-11)6-7-13(15)17(25)14-9-22-19-16(14)18(21)23-10-24-19/h1-10H,(H,22,23,24)

Composition: C (59.40%), H (2.89%), Cl (18.45%), N (10.94%), O (8.33%)

Molar Mass: 384.22

Atom Count: 37

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 383.022832
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KTAIMHSESUMMIP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.25
Topological Polar Surface Area 67.87
Polarizability 38.91
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2095393-19-2 $227.70-$2,973.90$227.70$457.70$917.70$1,651.40$2,973.90
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