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13974-62-4 molecular structure
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N-cyano-N-phenylformamide

ChemBase ID: 108182
Molecular Formular: C8H6N2O
Molecular Mass: 146.14604
Monoisotopic Mass: 146.04801282
SMILES and InChIs

SMILES:
O=CN(C#N)c1ccccc1
Canonical SMILES:
O=CN(c1ccccc1)C#N
InChI:
InChI=1S/C8H6N2O/c9-6-10(7-11)8-4-2-1-3-5-8/h1-5,7H
InChIKey:
UFLMFAGALQZNOV-UHFFFAOYSA-N

Cite this record

CBID:108182 http://www.chembase.cn/molecule-108182.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyano-N-phenylformamide
IUPAC Traditional name
N-cyano-N-phenylformamide
Synonyms
N-(PHENYL)CYANOFORMAMIDE
CAS Number
13974-62-4
PubChem SID
162095469
PubChem CID
25022048

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05206363 external link Add to cart Please log in.
Data Source Data ID
PubChem 25022048 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.00684  LogD (pH = 7.4) 1.00684 
Log P 1.00684  Molar Refractivity 40.5053 cm3
Polarizability 15.046524 Å3 Polar Surface Area 44.1 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 - 05206363 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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