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15811-72-0 | 2-Butanol, 1,1,1-trichloro-2-methyl-
CAS No: 15811-72-0 Catalog No: AG001Q0H MDL No:
Product Description
Catalog Number:
AG001Q0H
Chemical Name:
2-Butanol, 1,1,1-trichloro-2-methyl-
CAS Number:
15811-72-0
Molecular Formula:
C5H9Cl3O
Molecular Weight:
191.4834
IUPAC Name:
1,1,1-trichloro-2-methylbutan-2-ol
InChI:
InChI=1S/C5H9Cl3O/c1-3-4(2,9)5(6,7)8/h9H,3H2,1-2H3
InChI Key:
ZMGGYAPMGGTJOJ-UHFFFAOYSA-N
SMILES:
CCC(C(Cl)(Cl)Cl)(O)C
Properties
Complexity:
98.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.972g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.476g/mol
Monoisotopic Mass:
189.972g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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