CAS 13096-96-3 | 1H-Indazole, 4-chloro- | CAS Number 13096-96-3

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13096-96-3 | 1H-Indazole, 4-chloro-

CAS No: 13096-96-3 Catalog No: AG000V6B MDL No:MFCD00211065

Product Description

Catalog Number:

AG000V6B

Chemical Name:

1H-Indazole, 4-chloro-

CAS Number:

13096-96-3

Molecular Formula:

C7H5ClN2

Molecular Weight:

152.5810

MDL Number:

MFCD00211065

IUPAC Name:

4-chloro-1H-indazole

InChI:

InChI=1S/C7H5ClN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,(H,9,10)

InChI Key:

CQTGQYVQJOJQCM-UHFFFAOYSA-N

SMILES:

Clc1cccc2c1cn[nH]2

NSC Number:

694315

Properties

Complexity:

129

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

152.014g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

152.581g/mol

Monoisotopic Mass:

152.014g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

28.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
Fluorinated indazoles as novel selective inhibitors of nitric oxide synthase (NOS): synthesis and biological evaluation.	Bioorganic & medicinal chemistry 20090901
4-substituted indazoles as new inhibitors of neuronal nitric oxide synthase.	Bioorganic & medicinal chemistry letters 20070601