Home > Compound List > Compound details
60713-77-1 molecular structure
click picture or here to close

5-amino-6-chloro-2,3-dihydro-1H-1,3-benzodiazol-2-one

ChemBase ID: 309688
Molecular Formular: C7H6ClN3O
Molecular Mass: 183.59504
Monoisotopic Mass: 183.01993951
SMILES and InChIs

SMILES:
c1(=O)[nH]c2c([nH]1)cc(c(c2)Cl)N
Canonical SMILES:
O=c1[nH]c2c([nH]1)cc(c(c2)Cl)N
InChI:
InChI=1S/C7H6ClN3O/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,9H2,(H2,10,11,12)
InChIKey:
RJDOWRYORIVSKQ-UHFFFAOYSA-N

Cite this record

CBID:309688 http://www.chembase.cn/molecule-309688.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-amino-6-chloro-2,3-dihydro-1H-1,3-benzodiazol-2-one
IUPAC Traditional name
5-amino-6-chloro-1,3-dihydro-1,3-benzodiazol-2-one
Synonyms
5-amino-6-chloro-1,3-dihydro-2H-benzimidazol-2-one
CAS Number
60713-77-1
MDL Number
MFCD18447686

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4043782 external link Add to cart
Data Source Data ID Price
ChemBridge
4043782 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) 0.9204114  LogD (pH = 7.4) 0.9205252 
Log P 0.92052805  Molar Refractivity 49.5 cm3
Polarizability 16.853893 Å3 Polar Surface Area 67.15 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle