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3-chloro-5-phenyl-1H-pyrazole

3-chloro-5-phenyl-1H-pyrazole

CAS: 93233-17-1

Formula: C9H7ClN2

SMILES: ClC1=NNC(=C1)C1=CC=CC=C1

IUPAC: 3-chloro-5-phenyl-1H-pyrazole

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

Composition: C (60.52%), H (3.95%), Cl (19.85%), N (15.68%)

Molar Mass: 178.62

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 178.0297759
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey ACZNWPIDKSKFOC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.63
Topological Polar Surface Area 28.68
Polarizability 20.03
Ring Count 2
Rotatable Bond Count 1

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