CAS
99065-34-6 Purity
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99065-34-6 Purity
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4-BROMO-2-(1H-PYRAZOL-3-YL)PHENOL
CAS
99067-15-9
Catalog Number
ACM99067159
Category
Other Products
Molecular Weight
239.07
Molecular Formula
C9H7BrN2O
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Specification
Synonyms
4-Bromo-2-(1H-pyrazol-3-yl)phenol, 99067-15-9, AC1OA1VK, SureCN1528553, SureCN5368228, CTK3I6563, ZINC13121951, AG-I-00868, KB-240506, 4-bromo-6-(1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
IUPAC Name
4-bromo-6-(1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
Canonical SMILES
C1=CC(=O)C(=C2C=CNN2)C=C1Br
InChI Key
WAHULEHSSFNFQX-UHFFFAOYSA-N
Boiling Point
406.5ºC at 760 mmHg
Melting Point
159-163ºC(lit.)
Flash Point
199.6ºC
Density
1.696g/cm³
Exact Mass
237.97400
Hazard Statements
Xi
H-Bond Acceptor
3
H-Bond Donor
2
Safety Description
S26-S36
What is the molecular formula of 4-bromo-2-(1H-pyrazol-3-yl)phenol?
The molecular formula is C9H7BrN2O.
What is the molecular weight of 4-bromo-2-(1H-pyrazol-3-yl)phenol?
The molecular weight is 239.07 g/mol.
What is another name for 4-bromo-2-(1H-pyrazol-3-yl)phenol?
Another name is 4-Bromo-2-(1H-pyrazol-5-yl)phenol.
When was 4-bromo-2-(1H-pyrazol-3-yl)phenol created and modified in PubChem?
It was created on 2005-07-09 and modified on 2023-12-30.
What is the InChIKey of 4-bromo-2-(1H-pyrazol-3-yl)phenol?
The InChIKey is PNIKRSVKWZRJOK-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 4-bromo-2-(1H-pyrazol-3-yl)phenol have?
It has 2 hydrogen bond donor counts.
What is the XLogP3-AA value of 4-bromo-2-(1H-pyrazol-3-yl)phenol?
The XLogP3-AA value is 2.2.
What is the topological polar surface area of 4-bromo-2-(1H-pyrazol-3-yl)phenol?
The topological polar surface area is 48.9 ?2.
How many rotatable bond counts does 4-bromo-2-(1H-pyrazol-3-yl)phenol have?
It has 1 rotatable bond count.
Is 4-bromo-2-(1H-pyrazol-3-yl)phenol a canonicalized compound?
Yes, it is a canonicalized compound.
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