CAS 1893125-36-4

1 2D Structure

CAS 1893125-36-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-chloro-2-methylindazol-5-amine

2.1.2 InChI

InChI=1S/C8H8ClN3/c1-12-4-5-2-7(10)6(9)3-8(5)11-12/h2-4H,10H2,1H3

2.1.3 InChI Key

YRZNRFJEBAPCCO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C=C2C=C(C(=CC2=N1)Cl)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1893125-36-4

2. Schembl21246780

3. At32298

4. 5-amino-6-chloro-2-methyl-2h-indazole

5. Sy310102

6. Cs-0375281

2.3 Create Date

2016-02-15

3 Chemical and Physical Properties

Molecular Formula	C₈H₈ClN₃
Molecular Weight	181.62 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	181.0406750 g/mol
Monoisotopic Mass	181.0406750 g/mol
Topological Polar Surface Area	43.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	176
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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