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1002-76-2 | Hexane, 1-butoxy-6-chloro-
CAS No: 1002-76-2 Catalog No: AG000181 MDL No:
Product Description
Catalog Number:
AG000181
Chemical Name:
Hexane, 1-butoxy-6-chloro-
CAS Number:
1002-76-2
Molecular Formula:
C10H21ClO
Molecular Weight:
192.7261
IUPAC Name:
1-butoxy-6-chlorohexane
InChI:
InChI=1S/C10H21ClO/c1-2-3-9-12-10-7-5-4-6-8-11/h2-10H2,1H3
InChI Key:
HFWTYUJKYNJKSA-UHFFFAOYSA-N
SMILES:
CCCCOCCCCCCCl
Properties
Complexity:
76.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.128g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.727g/mol
Monoisotopic Mass:
192.128g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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