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112253-70-0 molecular structure
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2-amino-4-bromobenzamide

ChemBase ID: 814509
Molecular Formular: C7H7BrN2O
Molecular Mass: 215.04728
Monoisotopic Mass: 213.97417485
SMILES and InChIs

SMILES:
c1(c(cc(cc1)Br)N)C(=O)N
Canonical SMILES:
Brc1ccc(c(c1)N)C(=O)N
InChI:
InChI=1S/C7H7BrN2O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H2,10,11)
InChIKey:
OFXMSVAQRRUVHA-UHFFFAOYSA-N

Cite this record

CBID:814509 http://www.chembase.cn/molecule-814509.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-4-bromobenzamide
IUPAC Traditional name
2-amino-4-bromobenzamide
Synonyms
2-amino-4-bromobenzamide
CAS Number
112253-70-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36692 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36692 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.737079  H Acceptors
H Donor LogD (pH = 5.5) 1.4135703 
LogD (pH = 7.4) 1.413711  Log P 1.4137127 
Molar Refractivity 47.4596 cm3 Polarizability 17.224888 Å3
Polar Surface Area 69.11 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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