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13138-51-7 | Butane, 1,2,3,3-tetrachloro-
CAS No: 13138-51-7 Catalog No: AG000W2R MDL No:
Product Description
Catalog Number:
AG000W2R
Chemical Name:
Butane, 1,2,3,3-tetrachloro-
CAS Number:
13138-51-7
Molecular Formula:
C4H6Cl4
Molecular Weight:
195.9024
IUPAC Name:
1,2,3,3-tetrachlorobutane
InChI:
InChI=1S/C4H6Cl4/c1-4(7,8)3(6)2-5/h3H,2H2,1H3
InChI Key:
NGAAIHKWQFLRDY-UHFFFAOYSA-N
SMILES:
ClCC(C(Cl)(Cl)C)Cl
EC Number:
603-477-9
Properties
Complexity:
70.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.919g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.892g/mol
Monoisotopic Mass:
193.922g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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