5- (2-Chlorophenyl) -1H-pyrazole

CAT: 0024-sc-323321Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-323321Size:1 g

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CAS Number

59843-55-9

Chemical Information

3-(2-Chlorophenyl)-1H-Pyrazole

CAS Number	59843-55-9
PubChem CID	2735799
IUPAC Name	5-(2-chlorophenyl)-1H-pyrazole
Molecular Formula	C9H7ClN2
Molecular Weight	178.62
XLogP	2.5
Topological Polar Surface Area	28.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	151

SMILES

C1=CC=C(C(=C1)C2=CC=NN2)Cl

InChI

InChI=1S/C9H7ClN2/c10-8-4-2-1-3-7(8)9-5-6-11-12-9/h1-6H,(H,11,12)

InChIKey

DWBQZNMWKPXWEK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 59843-55-9

CID: 2735799

Formula: C9H7ClN2

MW: 178.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.62
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	178.0297759
Monoisotopic Mass	178.0297759
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	151
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

Catalog	Name
sc-473516	3- (4-Chlorophenyl) -5- (trifluoromethyl) -1H-pyrazole
sc-473633	5- (Ethoxycarbonyl) -3- (4-chlorophenyl) -1H-pyrazole
sc-233210	5-Amino-1- (2-chlorophenyl) -1H-pyrazole-4-carbonitrile
sc-506936	3- (3-Chlorophenyl) -1H-pyrazole
sc-231327	3- (4-Chlorophenyl) -1H-pyrazole
sc-281729	1- (2-chlorophenyl) -1H-pyrazole-4-carbaldehyde
sc-261708	4-Bromo-1- (2-chlorophenyl) -1H-pyrazole
sc-261708A	4-Bromo-1- (2-chlorophenyl) -1H-pyrazole
sc-353829	Methyl 3- (4-chlorophenyl) -1H-pyrazole-5-carboxylate
sc-275741	3- (4-chlorophenyl) -1H-pyrazole-5-carboxylic acid

Catalog	Name
OR16	3- (2-Chlorophenyl) -1H-pyrazole
CIA34435-01	1-[ (2-Chlorophenyl) methyl]-1H-pyrazole
AR-C03346-01	1- (2-Chlorophenyl-diphenylmethyl) -1H-pyrazole
OR1008878-01	1- ((2-Chlorophenyl) Diphenylmethyl) -1H-Pyrazole
OR17-01	3- (3-Chlorophenyl) -1H-pyrazole
OR0021	3- (4-Chlorophenyl) -1H-pyrazole
HCA21165-01	1- (3-Chlorophenyl) -1H-pyrazole
270098-01	5- (4-Chlorophenyl) -1H-pyrazole
OR318000-01	4- (4-Chlorophenyl) -1H-pyrazole
OR78650-01	4- (3-Chlorophenyl) -1h-pyrazole