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14093-16-4 | Heptane, 2-chloro-2,6-dimethyl-
CAS No: 14093-16-4 Catalog No: AG001FO3 MDL No:
Product Description
Catalog Number:
AG001FO3
Chemical Name:
Heptane, 2-chloro-2,6-dimethyl-
CAS Number:
14093-16-4
Molecular Formula:
C9H19Cl
Molecular Weight:
162.7002
IUPAC Name:
2-chloro-2,6-dimethylheptane
InChI:
InChI=1S/C9H19Cl/c1-8(2)6-5-7-9(3,4)10/h8H,5-7H2,1-4H3
InChI Key:
NJWHTGOVVVUUSI-UHFFFAOYSA-N
SMILES:
CC(CCCC(Cl)(C)C)C
Properties
Complexity:
84.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.118g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.701g/mol
Monoisotopic Mass:
162.118g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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