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80717-52-8 | Benzene,1,3,5-tribromo-2,4,6-triethyl-
CAS No: 80717-52-8 Catalog No: AG005JRL MDL No:
Product Description
Catalog Number:
AG005JRL
Chemical Name:
Benzene,1,3,5-tribromo-2,4,6-triethyl-
CAS Number:
80717-52-8
Molecular Formula:
C12H15Br3
Molecular Weight:
398.9595
IUPAC Name:
1,3,5-tribromo-2,4,6-triethylbenzene
InChI:
InChI=1S/C12H15Br3/c1-4-7-10(13)8(5-2)12(15)9(6-3)11(7)14/h4-6H2,1-3H3
InChI Key:
TTZNUTMDOHJHQM-UHFFFAOYSA-N
SMILES:
CCc1c(Br)c(CC)c(c(c1Br)CC)Br
NSC Number:
143567
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.87g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.964g/mol
Monoisotopic Mass:
395.872g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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