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74885-95-3 | 1-Butene, 3,4,4-trichloro-
CAS No: 74885-95-3 Catalog No: AG00588W MDL No:MFCD20626807
Product Description
Catalog Number:
AG00588W
Chemical Name:
1-Butene, 3,4,4-trichloro-
CAS Number:
74885-95-3
Molecular Formula:
C4H5Cl3
Molecular Weight:
159.4415
MDL Number:
MFCD20626807
IUPAC Name:
3,4,4-trichlorobut-1-ene
InChI:
InChI=1S/C4H5Cl3/c1-2-3(5)4(6)7/h2-4H,1H2
InChI Key:
VBNWUUIAAZFRAO-UHFFFAOYSA-N
SMILES:
C=CC(C(Cl)Cl)Cl
Properties
Complexity:
60
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:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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