4-Chloro-5,5-dimethyl-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one

Name: 4-Chloro-5,5-dimethyl-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one
Brand: ChemScene
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CAS No. 1226804-02-9
Cat. No. CS-0050921
Purity≥98%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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4-Chloro-5,5-dimethyl-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one|CS-0050921

Structure of 1226804-02-9

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General Information

CAS No. 1226804-02-9
Cat. No. CS-0050921
Purity ≥98%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈ClN₃O
Molecular Weight 197.62
Synonym(s) 4-chloro-5,5-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one
SMILES CC1(C)C(=O)NC2=NC=NC(Cl)=C12

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

TPSA 54.88
LogP 1.3597
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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4-Chloro-5,5-dimethyl-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one

CAS No. 1226804-02-9

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