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Structure

3-Bromo-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine

CAS
944902-17-4
Catalog Number
ACM944902174
Category
Other Products
Molecular Weight
267.898240 [g/mol]
Molecular Formula
C5HBrCl2N4

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Specification

Synonyms
3-Bromo-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine, 944902-17-4, CTK5H6726, MolPort-019-918-558, ANW-51490, AKOS015836079, AB59141, AG-L-25218, AK-31686, BR-31686, KB-234993, W9689, 1H-PYRAZOLO[3,4-D]PYRIMIDINE, 3-BROMO-4,6-DICHLORO-
IUPAC Name
3-bromo-4,6-dichloro-2H-pyrazolo[3,4-d]pyrimidine
Canonical SMILES
C12=C(NN=C1N=C(N=C2Cl)Cl)Br
InChI Key
XTVZOIZUAZZTOX-UHFFFAOYSA-N
Density
2.203g/cm³
Exact Mass
265.87600
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 3-Bromo-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine?

The molecular formula of 3-Bromo-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine is C5HBrCl2N4.

What is the IUPAC name of 3-Bromo-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine?

The IUPAC name of 3-Bromo-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine is 3-bromo-4,6-dichloro-2H-pyrazolo[3,4-d]pyrimidine.

What is the InChI of 3-Bromo-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine?

The InChI of 3-Bromo-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine is InChI=1S/C5HBrCl2N4/c6-2-1-3(7)9-5(8)10-4(1)12-11-2/h(H,9,10,11,12).

What is the InChIKey of 3-Bromo-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine?

The InChIKey of 3-Bromo-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine is XTVZOIZUAZZTOX-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Bromo-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine?

The canonical SMILES of 3-Bromo-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine is C12=C(NN=C1N=C(N=C2Cl)Cl)Br.

What is the molecular weight of 3-Bromo-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine?

The molecular weight of 3-Bromo-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine is 267.90 g/mol.

What is the CAS number of 3-Bromo-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine?

The CAS number of 3-Bromo-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine is 944902-17-4.

What is the DSSTox Substance ID of 3-Bromo-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine?

The DSSTox Substance ID of 3-Bromo-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine is DTXSID50718264.

What is the XLogP3-AA value of 3-Bromo-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine?

The XLogP3-AA value of 3-Bromo-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine is 3.1.

Is 3-Bromo-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine a canonicalized compound?

Yes, 3-Bromo-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine is a canonicalized compound.

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