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116530-76-8 | Hexane, 3-chloro-3-ethyl-
CAS No: 116530-76-8 Catalog No: AG000CP4 MDL No:MFCD00045240
Product Description
Catalog Number:
AG000CP4
Chemical Name:
Hexane, 3-chloro-3-ethyl-
CAS Number:
116530-76-8
Molecular Formula:
C8H17Cl
Molecular Weight:
148.6736
MDL Number:
MFCD00045240
IUPAC Name:
3-chloro-3-ethylhexane
InChI:
InChI=1S/C8H17Cl/c1-4-7-8(9,5-2)6-3/h4-7H2,1-3H3
InChI Key:
GOMWAYCVQYANPT-UHFFFAOYSA-N
SMILES:
CCCC(CC)(CC)Cl
Properties
Complexity:
65
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.102g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.674g/mol
Monoisotopic Mass:
148.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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