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21036-51-1 molecular structure
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7-methoxy-2,1,3-benzoxadiazol-4-amine

ChemBase ID: 307014
Molecular Formular: C7H7N3O2
Molecular Mass: 165.14938
Monoisotopic Mass: 165.05382648
SMILES and InChIs

SMILES:
c12c(non1)c(ccc2N)OC
Canonical SMILES:
COc1ccc(c2c1non2)N
InChI:
InChI=1S/C7H7N3O2/c1-11-5-3-2-4(8)6-7(5)10-12-9-6/h2-3H,8H2,1H3
InChIKey:
REQQPMBEQINDBP-UHFFFAOYSA-N

Cite this record

CBID:307014 http://www.chembase.cn/molecule-307014.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methoxy-2,1,3-benzoxadiazol-4-amine
IUPAC Traditional name
7-methoxy-2,1,3-benzoxadiazol-4-amine
Synonyms
7-methoxy-2,1,3-benzoxadiazol-4-amine
CAS Number
21036-51-1
MDL Number
MFCD12189715

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.33664927  LogD (pH = 7.4) 0.336671 
Log P 0.3366713  Molar Refractivity 43.2984 cm3
Polarizability 16.639517 Å3 Polar Surface Area 74.17 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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