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359867-42-8 molecular structure
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3-amino-4-bromobenzaldehyde

ChemBase ID: 797782
Molecular Formular: C7H6BrNO
Molecular Mass: 200.03264
Monoisotopic Mass: 198.96327582
SMILES and InChIs

SMILES:
c1(cc(c(cc1)Br)N)C=O
Canonical SMILES:
O=Cc1ccc(c(c1)N)Br
InChI:
InChI=1S/C7H6BrNO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H,9H2
InChIKey:
NEMFHQCQKJUENY-UHFFFAOYSA-N

Cite this record

CBID:797782 http://www.chembase.cn/molecule-797782.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-4-bromobenzaldehyde
IUPAC Traditional name
3-amino-4-bromobenzaldehyde
Synonyms
3-Amino-4-bromo-benzaldehyde
CAS Number
359867-42-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O9759 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O9759 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) 1.6253744  LogD (pH = 7.4) 1.6255723 
Log P 1.6255748  Molar Refractivity 44.9652 cm3
Polarizability 16.232302 Å3 Polar Surface Area 43.09 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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