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18271-82-4 | Ethanol, 2,2,2-trichloro-1-methoxy-
CAS No: 18271-82-4 Catalog No: AG002435 MDL No:
Product Description
Catalog Number:
AG002435
Chemical Name:
Ethanol, 2,2,2-trichloro-1-methoxy-
CAS Number:
18271-82-4
Molecular Formula:
C3H5Cl3O2
Molecular Weight:
179.4296
IUPAC Name:
2,2,2-trichloro-1-methoxyethanol
InChI:
InChI=1S/C3H5Cl3O2/c1-8-2(7)3(4,5)6/h2,7H,1H3
InChI Key:
LVMUSFXOLZJHFU-UHFFFAOYSA-N
SMILES:
COC(C(Cl)(Cl)Cl)O
EC Number:
242-152-2
NSC Number:
141432
Properties
Complexity:
69.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.936g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.421g/mol
Monoisotopic Mass:
177.936g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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