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825644-13-1 | Benzene, 2-bromo-1,4-bis(1-ethylpropyl)-
CAS No: 825644-13-1 Catalog No: AG0053LP MDL No:
Product Description
Catalog Number:
AG0053LP
Chemical Name:
Benzene, 2-bromo-1,4-bis(1-ethylpropyl)-
CAS Number:
825644-13-1
Molecular Formula:
C16H25Br
Molecular Weight:
297.2737
IUPAC Name:
2-bromo-1,4-di(pentan-3-yl)benzene
InChI:
InChI=1S/C16H25Br/c1-5-12(6-2)14-9-10-15(16(17)11-14)13(7-3)8-4/h9-13H,5-8H2,1-4H3
InChI Key:
MWZCFIZOSOESGP-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(c(c1)Br)C(CC)CC)CC
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.114g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.28g/mol
Monoisotopic Mass:
296.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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