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13279-84-0 | 1-Butene, 4,4,4-trichloro-
CAS No: 13279-84-0 Catalog No: AG00116S MDL No:
Product Description
Catalog Number:
AG00116S
Chemical Name:
1-Butene, 4,4,4-trichloro-
CAS Number:
13279-84-0
Molecular Formula:
C4H5Cl3
Molecular Weight:
159.4415
IUPAC Name:
4,4,4-trichlorobut-1-ene
InChI:
InChI=1S/C4H5Cl3/c1-2-3-4(5,6)7/h2H,1,3H2
InChI Key:
AKQZPPKQVZVYCC-UHFFFAOYSA-N
SMILES:
C=CCC(Cl)(Cl)Cl
UN Number:
2322
Properties
Complexity:
61.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.946g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.434g/mol
Monoisotopic Mass:
157.946g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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