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830-39-7 | 1-chloro-4-(1,1,2,2,2-pentachloroethyl)benzene
CAS No: 830-39-7 Catalog No: AG004X59 MDL No:
Product Description
Catalog Number:
AG004X59
Chemical Name:
1-chloro-4-(1,1,2,2,2-pentachloroethyl)benzene
CAS Number:
830-39-7
Molecular Formula:
C8H4Cl6
Molecular Weight:
312.8354
IUPAC Name:
1-chloro-4-(1,1,2,2,2-pentachloroethyl)benzene
InChI:
InChI=1S/C8H4Cl6/c9-6-3-1-5(2-4-6)7(10,11)8(12,13)14/h1-4H
InChI Key:
SPCOQYQEUMJGBW-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(C(Cl)(Cl)Cl)(Cl)Cl
NSC Number:
407519
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.841g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.82g/mol
Monoisotopic Mass:
309.844g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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