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86119-63-3 | Heptane, 3-bromo-3-ethyl-
CAS No: 86119-63-3 Catalog No: AG004P2Z MDL No:
Product Description
Catalog Number:
AG004P2Z
Chemical Name:
Heptane, 3-bromo-3-ethyl-
CAS Number:
86119-63-3
Molecular Formula:
C9H19Br
Molecular Weight:
207.1512
IUPAC Name:
3-bromo-3-ethylheptane
InChI:
InChI=1S/C9H19Br/c1-4-7-8-9(10,5-2)6-3/h4-8H2,1-3H3
InChI Key:
OHJMLNPQHAQKLP-UHFFFAOYSA-N
SMILES:
CCCCC(CC)(CC)Br
Properties
Complexity:
74.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.067g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.155g/mol
Monoisotopic Mass:
206.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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