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55440-55-6 | 5-CHLORO-2,4-DIMETHOXYPHENYL ISOCYANATE
CAS No: 55440-55-6 Catalog No: AG003MM9 MDL No:MFCD00013857
Product Description
Catalog Number:
AG003MM9
Chemical Name:
5-CHLORO-2,4-DIMETHOXYPHENYL ISOCYANATE
CAS Number:
55440-55-6
Molecular Formula:
C9H8ClNO3
Molecular Weight:
213.6177
MDL Number:
MFCD00013857
IUPAC Name:
1-chloro-5-isocyanato-2,4-dimethoxybenzene
InChI:
InChI=1S/C9H8ClNO3/c1-13-8-4-9(14-2)7(11-5-12)3-6(8)10/h3-4H,1-2H3
InChI Key:
COSVEXSXJCUYOT-UHFFFAOYSA-N
SMILES:
O=C=Nc1cc(Cl)c(cc1OC)OC
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.019g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.617g/mol
Monoisotopic Mass:
213.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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