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6850-22-2 molecular structure
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2-methyl-6-nitro-2H-indazole

ChemBase ID: 816102
Molecular Formular: C8H7N3O2
Molecular Mass: 177.16008
Monoisotopic Mass: 177.05382648
SMILES and InChIs

SMILES:
c1n(nc2cc(ccc12)[N+](=O)[O-])C
Canonical SMILES:
Cn1cc2c(n1)cc(cc2)[N+](=O)[O-]
InChI:
InChI=1S/C8H7N3O2/c1-10-5-6-2-3-7(11(12)13)4-8(6)9-10/h2-5H,1H3
InChIKey:
RJFYXEGJMSZKIR-UHFFFAOYSA-N

Cite this record

CBID:816102 http://www.chembase.cn/molecule-816102.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-6-nitro-2H-indazole
IUPAC Traditional name
2-methyl-6-nitroindazole
Synonyms
2-METHYL-6-NITRO-2H-INDAZOLE
CAS Number
6850-22-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O39777 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O39777 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7164164  LogD (pH = 7.4) 1.7164172 
Log P 1.7164172  Molar Refractivity 57.3601 cm3
Polarizability 18.274485 Å3 Polar Surface Area 60.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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