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20614-15-7 | Hexane, 3-(2-chloro-1-methylethoxy)-
CAS No: 20614-15-7 Catalog No: AG002AJN MDL No:
Product Description
Catalog Number:
AG002AJN
Chemical Name:
Hexane, 3-(2-chloro-1-methylethoxy)-
CAS Number:
20614-15-7
Molecular Formula:
C9H19ClO
Molecular Weight:
178.6996
IUPAC Name:
3-(1-chloropropan-2-yloxy)hexane
InChI:
InChI=1S/C9H19ClO/c1-4-6-9(5-2)11-8(3)7-10/h8-9H,4-7H2,1-3H3
InChI Key:
GPIMWLMTDYYDRA-UHFFFAOYSA-N
SMILES:
CCCC(OC(CCl)C)CC
Properties
Complexity:
85.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.112g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.7g/mol
Monoisotopic Mass:
178.112g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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