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15145-29-6 | Ethane, 1,1,1,2-tetrachloro-2-isocyanato-
CAS No: 15145-29-6 Catalog No: AG001ND5 MDL No:MFCD03147640
Product Description
Catalog Number:
AG001ND5
Chemical Name:
Ethane, 1,1,1,2-tetrachloro-2-isocyanato-
CAS Number:
15145-29-6
Molecular Formula:
C3HCl4NO
Molecular Weight:
208.8581
MDL Number:
MFCD03147640
IUPAC Name:
1,1,1,2-tetrachloro-2-isocyanatoethane
InChI:
InChI=1S/C3HCl4NO/c4-2(8-1-9)3(5,6)7/h2H
InChI Key:
FHKUICFKULHZGP-UHFFFAOYSA-N
SMILES:
ClC(C(Cl)(Cl)Cl)N=C=O
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.878g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.847g/mol
Monoisotopic Mass:
206.881g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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