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7-(4-chlorophenyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxylic acid

7-(4-chlorophenyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxylic acid

CAS: 338406-53-4

Formula: C16H13ClN2O2

SMILES: CC1=NC2=C(C(O)=O)C(=CN2C(C)=C1)C1=CC=C(Cl)C=C1

IUPAC: 7-(4-chlorophenyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxylic acid

InChI: InChI=1S/C16H13ClN2O2/c1-9-7-10(2)19-8-13(11-3-5-12(17)6-4-11)14(16(20)21)15(19)18-9/h3-8H,1-2H3,(H,20,21)

Composition: C (63.90%), H (4.36%), Cl (11.79%), N (9.31%), O (10.64%)

Molar Mass: 300.74

Atom Count: 34

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 300.0665554
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JBQMLOWLXLEWKA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.87
Topological Polar Surface Area 54.6
Polarizability 31.95
Ring Count 3
Rotatable Bond Count 2

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 338406-53-4 $51.35-$524.40$51.35$63.37$86.31$524.40
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