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877475-10-0 | 4-Hexen-1-amine, 3-(3,4-dichlorophenoxy)-N-methyl-, (4E)-
CAS No: 877475-10-0 Catalog No: AG004FLX MDL No:
Product Description
Catalog Number:
AG004FLX
Chemical Name:
4-Hexen-1-amine, 3-(3,4-dichlorophenoxy)-N-methyl-, (4E)-
CAS Number:
877475-10-0
Molecular Formula:
C13H17Cl2NO
Molecular Weight:
274.1862
IUPAC Name:
3-(3,4-dichlorophenoxy)-N-methylhex-4-en-1-amine
InChI:
InChI=1S/C13H17Cl2NO/c1-3-4-10(7-8-16-2)17-11-5-6-12(14)13(15)9-11/h3-6,9-10,16H,7-8H2,1-2H3
InChI Key:
OHYQJNOWVMVSPC-UHFFFAOYSA-N
SMILES:
CNCCC(Oc1ccc(c(c1)Cl)Cl)/C=C/C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.185g/mol
Monoisotopic Mass:
273.069g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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