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13287-89-3 | Ethanol, 1,2,2-trichloro-
CAS No: 13287-89-3 Catalog No: AG0011BD MDL No:
Product Description
Catalog Number:
AG0011BD
Chemical Name:
Ethanol, 1,2,2-trichloro-
CAS Number:
13287-89-3
Molecular Formula:
C2H3Cl3O
Molecular Weight:
149.4036
IUPAC Name:
1,1,2-trichloroethanol
InChI:
InChI=1S/C2H3Cl3O/c3-1-2(4,5)6/h6H,1H2
InChI Key:
HYCHPIPDVAXCCJ-UHFFFAOYSA-N
SMILES:
ClC(C(Cl)O)Cl
Properties
Complexity:
44.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.925g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.395g/mol
Monoisotopic Mass:
147.925g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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