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52986-66-0 | 2-(CHLOROMETHYL)PHENYL ISOCYANATE
CAS No: 52986-66-0 Catalog No: AG003F0M MDL No:MFCD00077427
Product Description
Catalog Number:
AG003F0M
Chemical Name:
2-(CHLOROMETHYL)PHENYL ISOCYANATE
CAS Number:
52986-66-0
MDL Number:
MFCD00077427
IUPAC Name:
1-(chloromethyl)-2-isocyanatobenzene
InChI:
InChI=1S/C8H6ClNO/c9-5-7-3-1-2-4-8(7)10-6-11/h1-4H,5H2
InChI Key:
XTYOTPBIDRGAML-UHFFFAOYSA-N
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.014g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.592g/mol
Monoisotopic Mass:
167.014g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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