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5-chloro-2H-indazole-7-carboxylic acid

5-chloro-2H-indazole-7-carboxylic acid

CAS: 875305-85-4

Formula: C8H5ClN2O2

SMILES: OC(=O)C1=CC(Cl)=CC2=CNN=C12

IUPAC: 5-chloro-2H-indazole-7-carboxylic acid

InChI: InChI=1S/C8H5ClN2O2/c9-5-1-4-3-10-11-7(4)6(2-5)8(12)13/h1-3H,(H,10,11)(H,12,13)

Composition: C (48.88%), H (2.56%), Cl (18.03%), N (14.25%), O (16.28%)

Molar Mass: 196.59

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 196.0039551
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey VNJXVZJEPIMSIW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.88
Topological Polar Surface Area 65.98
Polarizability 18.88
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 875305-85-4 $333.50-$1,489.25$333.50$494.50$989.00$1,489.25
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