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67522-05-8 molecular structure
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1-methyl-1-(2-nitrophenyl)hydrazine

ChemBase ID: 81455
Molecular Formular: C7H9N3O2
Molecular Mass: 167.16526
Monoisotopic Mass: 167.06947654
SMILES and InChIs

SMILES:
[N+](=O)(c1ccccc1N(N)C)[O-]
Canonical SMILES:
[O-][N+](=O)c1ccccc1N(N)C
InChI:
InChI=1S/C7H9N3O2/c1-9(8)6-4-2-3-5-7(6)10(11)12/h2-5H,8H2,1H3
InChIKey:
PMEJFNBAOONAFT-UHFFFAOYSA-N

Cite this record

CBID:81455 http://www.chembase.cn/molecule-81455.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-1-(2-nitrophenyl)hydrazine
IUPAC Traditional name
1-methyl-1-(2-nitrophenyl)hydrazine
Synonyms
1-methyl-1-(2-nitrophenyl)hydrazine
CAS Number
67522-05-8
MDL Number
MFCD00052400
PubChem SID
162068574
PubChem CID
2777353

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR24120 external link Add to cart Please log in.
Data Source Data ID
PubChem 2777353 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1787425  LogD (pH = 7.4) 1.3491197 
Log P 1.3517888  Molar Refractivity 56.8947 cm3
Polarizability 16.622292 Å3 Polar Surface Area 75.08 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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