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CAS Number: 133841-05-1
7-methoxy-1H-indazole

Structure

7-methoxy-1H-indazole
Name: 7-methoxy-1H-indazole
Synonyms:
General Information
Product Number: 133841051

CAS Registry Number: 133841-05-1

Name:

1H-​Indazole, 7-​methoxy-
7-​Methoxy-​1H-​indazole; 7-​Methoxyindazole 

 

Chemical Formula: C8H8N2O
Exact Mass: 148.06
Molecular Weight: 148.16
m/z: 148.06 (100.0%), 149.07 (8.8%)
Elemental Analysis: C, 64.85; H, 5.44; N, 18.91; O, 10.80

 

InChI: InChI=1S/C8H8N2O/c1-11-7-4-2-3-6-5-9-10-8(6)7/h2-5H,1H3,(H,9,10)
InChIKey: QCBANHQTMCETBI-UHFFFAOYSA-N
Canonical SMILES : COC1=CC=CC2=C1NN=C2

 

Thermal Properties Value Condition Note
Melting Point 97-99 °C   (2)CAS
Melting Point 91-92 °C   (4)CAS

Specification

98%

References
  1. (1) Lundgren, Rylan J.; Angewandte Chemie, International Edition 2010, V49(46), P8686-8690, S8686/1-S8686/45 CAPLUS
  2. (2) Vernekar, Sanjeev Kumar V.; Journal of Medicinal Chemistry 2010, V53(5), P2324-2328 CAPLUS
  3. (3) Sopkova-de Oliveira Santos, Jana; Acta Crystallographica, Section C: Crystal Structure Communications 2002, VC58(11), Po688-o690 CAPLUS
  4. (4) Kovach, E. G.; Journal of the American Chemical Society 1954, V76, P1176-8 CAPLUS
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