5-chloro-1-propyl-1H-pyrazole-4-carboxylic acid, 95%

Name: 5-chloro-1-propyl-1H-pyrazole-4-carboxylic acid
Brand: Chempure

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CAS Number

1365942-96-6

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About this item

IUPAC name	5-chloro-1-propylpyrazole-4-carboxylic acid
inchi	InChI=1S/C7H9ClN2O2/c1-2-3-10-6(8)5(4-9-10)7(11)12/h4H,2-3H2,1H3,(H,11,12)
inchi key	DKAOETLXSIRKSA-UHFFFAOYSA-N
molecular formula	C7H9ClN2O2
synonyms	5-chloro-1-propyl-1H-pyrazole-4-carboxylic acid 1365942-96-6 5-chloro-1-propylpyrazole-4-carboxylic acid EN300-312293 5-chloro-1-propyl-1H-pyrazole-4-carboxylicacid

Computed Properties

Molecular Weight:	188.61 g/mol
XLogP3:	1.5
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	3
Exact Mass:	188.0352552 g/mol
Monoisotopic Mass:	188.0352552 g/mol
Topological Polar Surface Area:	55.1 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	177
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

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Product No: BH4473

5-chloro-1-propyl-1H-pyrazole-4-carboxylic acid, 95%

Product No: BH4473

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