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15240-59-2 molecular structure
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[1-(4-chlorophenyl)-2-methylpropan-2-yl]urea

ChemBase ID: 112182
Molecular Formular: C11H15ClN2O
Molecular Mass: 226.7026
Monoisotopic Mass: 226.08729079
SMILES and InChIs

SMILES:
CC(C)(Cc1ccc(Cl)cc1)NC(=O)N
Canonical SMILES:
NC(=O)NC(Cc1ccc(cc1)Cl)(C)C
InChI:
InChI=1S/C11H15ClN2O/c1-11(2,14-10(13)15)7-8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H3,13,14,15)
InChIKey:
MZDCMPNXLKPWAH-UHFFFAOYSA-N

Cite this record

CBID:112182 http://www.chembase.cn/molecule-112182.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1-(4-chlorophenyl)-2-methylpropan-2-yl]urea
IUPAC Traditional name
1-(4-chlorophenyl)-2-methylpropan-2-ylurea
Synonyms
N-(p-CHLORO-α,α-DIMETHYL PHENETHYL)UREA
CAS Number
15240-59-2
PubChem SID
162096901
PubChem CID
262939

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05222837 external link Add to cart Please log in.
Data Source Data ID
PubChem 262939 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.392233  H Acceptors
H Donor LogD (pH = 5.5) 2.1741729 
LogD (pH = 7.4) 2.1741729  Log P 2.1741729 
Molar Refractivity 61.2687 cm3 Polarizability 23.748537 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05222837 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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