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1-[(2-Chloro-4-fluorophenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylic acid

1-[(2-Chloro-4-fluorophenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylic acid - CAS 1281872-39-6

Catalog:	BB051067
Product Name:	1-[(2-Chloro-4-fluorophenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylic acid
CAS:	1281872-39-6
Synonyms:	1H-Pyrazole-5-carboxylic acid, 1-[(2-chloro-4-fluorophenyl)methyl]-3-nitro-; 1-(2-Chloro-4-fluorobenzyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Technical Data

Computed Properties

IUPAC Name:	2-[(2-chloro-4-fluorophenyl)methyl]-5-nitropyrazole-3-carboxylic acid
Molecular Weight:	299.64
Molecular Formula:	C11H7ClFN3O4
Canonical SMILES:	C1=CC(=C(C=C1F)Cl)CN2C(=CC(=N2)[N+](=O)[O-])C(=O)O
InChI:	InChI=1S/C11H7ClFN3O4/c12-8-3-7(13)2-1-6(8)5-15-9(11(17)18)4-10(14-15)16(19)20/h1-4H,5H2,(H,17,18)
InChI Key:	YWKMXYUCRCECDL-UHFFFAOYSA-N
Boiling Point:	518.9±50.0°C at 760 mmHg
Purity:	≥95%
Density:	1.7±0.1 g/cm3

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