Home > Compound List > Compound details
274901-75-6 molecular structure
click picture or here to close

4-chloro-2-propanamidobenzoic acid

ChemBase ID: 311893
Molecular Formular: C10H10ClNO3
Molecular Mass: 227.6443
Monoisotopic Mass: 227.03492087
SMILES and InChIs

SMILES:
c1(c(NC(=O)CC)cc(cc1)Cl)C(=O)O
Canonical SMILES:
CCC(=O)Nc1cc(Cl)ccc1C(=O)O
InChI:
InChI=1S/C10H10ClNO3/c1-2-9(13)12-8-5-6(11)3-4-7(8)10(14)15/h3-5H,2H2,1H3,(H,12,13)(H,14,15)
InChIKey:
WROIVUCRBDYZPW-UHFFFAOYSA-N

Cite this record

CBID:311893 http://www.chembase.cn/molecule-311893.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-2-propanamidobenzoic acid
IUPAC Traditional name
4-chloro-2-propanamidobenzoic acid
Synonyms
4-chloro-2-(propionylamino)benzoic acid
CAS Number
274901-75-6
MDL Number
MFCD02767009

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 7098346 external link Add to cart
Data Source Data ID Price
ChemBridge
7098346 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) 0.88739055  LogD (pH = 7.4) -0.5340788 
Log P 2.8231196  Molar Refractivity 57.6089 cm3
Polarizability 21.342978 Å3 Polar Surface Area 66.4 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