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7-chloro-1H-indazole-3-carbonyl chloride

7-chloro-1H-indazole-3-carbonyl chloride

CAS: 1260828-65-6

Formula: C8H4Cl2N2O

SMILES: ClC(=O)C1=NNC2=C(Cl)C=CC=C12

IUPAC: 7-chloro-1H-indazole-3-carbonyl chloride

InChI: InChI=1S/C8H4Cl2N2O/c9-5-3-1-2-4-6(5)11-12-7(4)8(10)13/h1-3H,(H,11,12)

Composition: C (44.69%), H (1.88%), Cl (32.97%), N (13.03%), O (7.44%)

Molar Mass: 215.03

Atom Count: 17

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 213.9700682
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey LSMZWNHQWXVILI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.62
Topological Polar Surface Area 45.75
Polarizability 20.33
Ring Count 2
Rotatable Bond Count 1

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