CAS 40598-94-5 | 3-Bromo-1H-indazole | CAS Number 40598-94-5

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40598-94-5 | 3-Bromo-1H-indazole

CAS No: 40598-94-5 Catalog No: AG003IZG MDL No:MFCD00159926

Product Description

Catalog Number:

AG003IZG

Chemical Name:

3-Bromo-1H-indazole

CAS Number:

40598-94-5

Molecular Formula:

C7H5BrN2

Molecular Weight:

197.0320

MDL Number:

MFCD00159926

IUPAC Name:

3-bromo-2H-indazole

InChI:

InChI=1S/C7H5BrN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)

InChI Key:

HTKXRTUKPXEALT-UHFFFAOYSA-N

SMILES:

Brc1n[nH]c2c1cccc2

Properties

Complexity:

129

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

195.964g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

197.035g/mol

Monoisotopic Mass:

195.964g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

28.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501