3-Fluoro-2-(1H-pyrazol-1-YL)benzoic acid

HCID 53409752
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Basic information

CAS
1214622-53-3
Standard SMILES
O=C(O)c1cccc(F)c1-n1cccn1
InChIKey
WHPUSKHJEBOLKR-UHFFFAOYSA-N
Molecular formula
C10H7FN2O2
Average molar mass
206.17 g/mol
Monoisotopic mass
206.04915568

Names & identifiers

Preferred name
3-Fluoro-2-(1H-pyrazol-1-YL)benzoic acid
IUPAC
3-fluoro-2-pyrazol-1-ylbenzoic acid
English name
3-Fluoro-2-(1H-pyrazol-1-yl)benzoic acid
Molecular formula
C10H7FN2O2
Molecular weight
206.17

Names & synonyms

3-FLUORO-2-(1H-PYRAZOL-1-YL)BENZOIC ACID1214622-53-33-fluoro-2-pyrazol-1-ylbenzoic acidSCHEMBL1586750WHPUSKHJEBOLKR-UHFFFAOYSA-NDTXSID901274687AKOS011943155DA-471583-FLUORO-2-(1H-PYRAZOL-1-YL)BENZOICACIDBenzoic acid, 3-fluoro-2-(1H-pyrazol-1-yl)-

Database identifiers

CAS
1214622-53-3
PubChem CID
53409752
DTXSID
DTXSID901274687

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
55.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
15

Physicochemical properties

HazardClass
IRRITANT

Safety & regulation

Safety data

hazard_class
IRRITANT

Chemistry & industry

Upstream & downstream products

Suppliers2 total

上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]

Related reactions

7 records
New reaction record

Compound notes

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