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102312-44-7 | Butane, 1-butoxy-1-chloro-
CAS No: 102312-44-7 Catalog No: AG000771 MDL No:
Product Description
Catalog Number:
AG000771
Chemical Name:
Butane, 1-butoxy-1-chloro-
CAS Number:
102312-44-7
Molecular Formula:
C8H17ClO
Molecular Weight:
164.6730
IUPAC Name:
1-butoxy-1-chlorobutane
InChI:
InChI=1S/C8H17ClO/c1-3-5-7-10-8(9)6-4-2/h8H,3-7H2,1-2H3
InChI Key:
CHFOWCDVIRGTNL-UHFFFAOYSA-N
SMILES:
CCCCOC(CCC)Cl
Properties
Complexity:
66.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.097g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.673g/mol
Monoisotopic Mass:
164.097g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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