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13279-85-1 | Butane, 1,1,1-trichloro-
CAS No: 13279-85-1 Catalog No: AG00116R MDL No:
Product Description
Catalog Number:
AG00116R
Chemical Name:
Butane, 1,1,1-trichloro-
CAS Number:
13279-85-1
Molecular Formula:
C4H7Cl3
Molecular Weight:
161.4574
IUPAC Name:
1,1,1-trichlorobutane
InChI:
InChI=1S/C4H7Cl3/c1-2-3-4(5,6)7/h2-3H2,1H3
InChI Key:
ABSHBZODGOHLFR-UHFFFAOYSA-N
SMILES:
CCCC(Cl)(Cl)Cl
EC Number:
236-280-8
Properties
Complexity:
45.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.961g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.45g/mol
Monoisotopic Mass:
159.961g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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