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23703-22-2 | Benzene, 1-bromo-4-hexyl-
CAS No: 23703-22-2 Catalog No: AG002O7A MDL No:MFCD00061114
Product Description
Catalog Number:
AG002O7A
Chemical Name:
Benzene, 1-bromo-4-hexyl-
CAS Number:
23703-22-2
Molecular Formula:
C12H17Br
Molecular Weight:
241.1674
MDL Number:
MFCD00061114
IUPAC Name:
1-bromo-4-hexylbenzene
InChI:
InChI=1S/C12H17Br/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-6H2,1H3
InChI Key:
MXHOLIARBWJKCR-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)Br
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.172g/mol
Monoisotopic Mass:
240.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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