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Reference substances

Currently viewing:
IUPAC name:
3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid

Inventory

EC number:
481-150-8
EC name:
-
CAS number:
-
CAS number:
500011-86-9
Synonyms
Names:
IN-DBC80
Identifier:
IUPAC name
3-Bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxylic acid
Identifier:
IUPAC name
3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic ac id
Identifier:
other: Molecular formula
C9H5BrClN3O2
Identifier:
other: SMILES notation
ClC1=C(N2N=C(Br)C=C2C(O)=O)N=CC=C1
Identifier:
other: Molecular formula
Hill formula: C9H5BrClN3O2 CAS formula: C9H5BrClN3O2
Identifier:
other: InChl
InChI=1S/C9H5BrClN3O2/c10-7-4-6(9(15)16)14(13-7)8-5(11)2-1-3-12-8/h1-4H,(H,15,16)
Identifier:
other: SMILES notation
N1(C2=NC=CC=C2Cl)N=C(Br)C=C1C(=O)OH
3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid

Molecular and structural information

Molecular formula:
C9H5BrClN3O2
Molecular weight:
ca. 302.52
SMILES notation:
O=C(O)c2cc(Br)nn2c1ncccc1Cl
InChl:
InChI=1/C9H5BrClN3O2/c10-7-4-6(9(15)16)14(13-7)8-5(11)2-1-3-12-8/h1-4H,(H,15,16)
Structural formula:
Chemical structure

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