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5-chloro-1H-indazole-3-carbaldehyde

5-chloro-1H-indazole-3-carbaldehyde

CAS: 102735-84-2

Formula: C8H5ClN2O

SMILES: ClC1=CC=C2NN=C(C=O)C2=C1

IUPAC: 5-chloro-1H-indazole-3-carbaldehyde

InChI: InChI=1S/C8H5ClN2O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-4H,(H,10,11)

Composition: C (53.21%), H (2.79%), Cl (19.63%), N (15.51%), O (8.86%)

Molar Mass: 180.59

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 180.0090405
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey XQELXOTYHCBYAI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.08
Topological Polar Surface Area 45.75
Polarizability 18.41
Ring Count 2
Rotatable Bond Count 1

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