AG003I28

59843-69-5 | 5-(3-Chlorophenyl)-1H-pyrazole

AG003I28

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CAS Number	59843-69-5
Catalog Number	AG003I28(AGN-PC-0OCZLN)
Chemical Name	5-(3-Chlorophenyl)-1H-pyrazole
IUPAC Name	5-(3-chlorophenyl)-1H-pyrazole
InChI	InChI=1S/C9H7ClN2/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,(H,11,12)
InChI Key	HSZSUEDJQQWSHX-UHFFFAOYSA-N
MDL Number	MFCD09860599
Molecular Formula	C9H7ClN2
Molecular Weight	178.6183
SMILES	ClC2(=CC(C1(=NNC=C1))=CC=C2)
Synonyms	5-(3-chlorophenyl)-1H-pyrazole, 59843-69-5, 3-(3-Chlorophenyl)-1H-pyrazole, 3-(3-Chlorophenyl)pyrazole, SCHEMBL746593, AC1MC454, CTK6H2466, DTXSID80370955, HSZSUEDJQQWSHX-UHFFFAOYSA-N, ALBB-031621, KS-00001OM6, ANW-33367, MFCD09860599, SBB089486, STL466958, ZINC15020424, AKOS009157441, AKOS023547076, MCULE-9239488634, PS-3932, 3-(3-chlorophenyl)-2H-pyrazole, CID2735800,

Complexity	152
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.03g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.619g/mol
Monoisotopic Mass	178.03g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number