CAS
933041-14-6 Purity
96%
933041-14-6 Purity
96%
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7-(3-Bromophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CAS
933054-30-9
Catalog Number
ACM933054309
Category
Other Products
Molecular Weight
299.13
Molecular Formula
C13H7BrN4
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Specification
Synonyms
7-(3-Bromophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 933054-30-9, SureCN5804188, CTK5H2282, AG-H-81334, FT-0663843
IUPAC Name
7-(3-bromophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Canonical SMILES
C1=CC(=CC(=C1)Br)C2=CC=NC3=C(C=NN23)C#N
InChI Key
YKKBPEKMOUHSEU-UHFFFAOYSA-N
Density
1.609g/cm³
Exact Mass
297.98500
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C13H7BrN4.
What is the molecular weight of the compound?
The molecular weight of the compound is 299.13 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 7-(3-bromophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C13H7BrN4/c14-11-3-1-2-9(6-11)12-4-5-16-13-10(7-15)8-17-18(12)13/h1-6,8H.
What is the InChIKey of the compound?
The InChIKey of the compound is YKKBPEKMOUHSEU-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC(=CC(=C1)Br)C2=CC=NC3=C(C=NN23)C#N.
What is the CAS number of the compound?
The CAS number of the compound is 933054-30-9.
What is the DSSTox Substance ID of the compound?
The DSSTox Substance ID of the compound is DTXSID40675731.
What is the XLogP3 value of the compound?
The XLogP3 value of the compound is 2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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