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99960-09-5 | 2-(Ethoxycarbonyl)phenyl isothiocyanate
CAS No: 99960-09-5 Catalog No: AG003F23 MDL No:MFCD00041063
Product Description
Catalog Number:
AG003F23
Chemical Name:
2-(Ethoxycarbonyl)phenyl isothiocyanate
CAS Number:
99960-09-5
MDL Number:
MFCD00041063
IUPAC Name:
ethyl 2-isothiocyanatobenzoate
InChI:
InChI=1S/C10H9NO2S/c1-2-13-10(12)8-5-3-4-6-9(8)11-7-14/h3-6H,2H2,1H3
InChI Key:
TYEPWLJHQLYWSR-UHFFFAOYSA-N
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.247g/mol
Monoisotopic Mass:
207.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Substituted 2-methylene-1,3-oxazolidines, -1,3-thiazolidines, -1,3-benzothiazines, -1,3-oxazines, and substituted imidazopyrimidinediones from Cl(CH2)nNCO and Cl(CH2)nNCS and active methylene compounds. | The Journal of organic chemistry 20061222 |
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