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1122-85-6 | Phenyl Cyanate
CAS No: 1122-85-6 Catalog No: AG003TOY MDL No:MFCD04973644
Product Description
Catalog Number:
AG003TOY
Chemical Name:
Phenyl Cyanate
CAS Number:
1122-85-6
Molecular Formula:
C7H5NO
Molecular Weight:
119.1207
MDL Number:
MFCD04973644
IUPAC Name:
phenyl cyanate
InChI:
InChI=1S/C7H5NO/c8-6-9-7-4-2-1-3-5-7/h1-5H
InChI Key:
CWHFDTWZHFRTAB-UHFFFAOYSA-N
SMILES:
N#COc1ccccc1
EC Number:
214-364-5
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.037g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
119.123g/mol
Monoisotopic Mass:
119.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Salts of the 1-cyanocarba-closo-dodecaborate anions [1-NC-closo-1-CB11X11]- (X = H, F, Cl, Br, I). | Dalton transactions (Cambridge, England : 2003) 20100314 |
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