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116254-66-1 | 2-Propanol, 1,2,3-trichloro-
CAS No: 116254-66-1 Catalog No: AG000C22 MDL No:
Product Description
Catalog Number:
AG000C22
Chemical Name:
2-Propanol, 1,2,3-trichloro-
CAS Number:
116254-66-1
Molecular Formula:
C3H5Cl3O
Molecular Weight:
163.4302
IUPAC Name:
1,2,3-trichloropropan-2-ol
InChI:
InChI=1S/C3H5Cl3O/c4-1-3(6,7)2-5/h7H,1-2H2
InChI Key:
WUGLLMGIZBHYAZ-UHFFFAOYSA-N
SMILES:
ClCC(CCl)(Cl)O
Properties
Complexity:
52.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.941g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.422g/mol
Monoisotopic Mass:
161.941g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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