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112626-91-2 molecular structure
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(4-bromo-3-methylphenyl)hydrazine

ChemBase ID: 813149
Molecular Formular: C7H9BrN2
Molecular Mass: 201.06376
Monoisotopic Mass: 199.9949103
SMILES and InChIs

SMILES:
NNc1cc(c(cc1)Br)C
Canonical SMILES:
NNc1ccc(c(c1)C)Br
InChI:
InChI=1S/C7H9BrN2/c1-5-4-6(10-9)2-3-7(5)8/h2-4,10H,9H2,1H3
InChIKey:
NCSVEMZXVDRIRO-UHFFFAOYSA-N

Cite this record

CBID:813149 http://www.chembase.cn/molecule-813149.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-bromo-3-methylphenyl)hydrazine
IUPAC Traditional name
(4-bromo-3-methylphenyl)hydrazine
Synonyms
(4-BROMO-3-METHYL-PHENYL)-HYDRAZINE
CAS Number
112626-91-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O34114 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O34114 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) 2.4193888  LogD (pH = 7.4) 2.6433089 
Log P 2.6470625  Molar Refractivity 48.4287 cm3
Polarizability 17.437042 Å3 Polar Surface Area 38.05 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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