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147288-21-9 | Benzene, 1-chloro-4-(3,3-dichlorobutyl)-
CAS No: 147288-21-9 Catalog No: AG001ERS MDL No:
Product Description
Catalog Number:
AG001ERS
Chemical Name:
Benzene, 1-chloro-4-(3,3-dichlorobutyl)-
CAS Number:
147288-21-9
Molecular Formula:
C10H11Cl3
Molecular Weight:
237.5533
IUPAC Name:
1-chloro-4-(3,3-dichlorobutyl)benzene
InChI:
InChI=1S/C10H11Cl3/c1-10(12,13)7-6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3
InChI Key:
VGEVQCOZYSLJMV-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CCC(Cl)(Cl)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.993g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.548g/mol
Monoisotopic Mass:
235.993g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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