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70289-29-1 | Ethanamine,2-(2-chlorophenoxy)-N-methyl-
CAS No: 70289-29-1 Catalog No: AG005KDB MDL No:MFCD28125920
Product Description
Catalog Number:
AG005KDB
Chemical Name:
Ethanamine,2-(2-chlorophenoxy)-N-methyl-
CAS Number:
70289-29-1
Molecular Formula:
C9H12ClNO
Molecular Weight:
185.6507
MDL Number:
MFCD28125920
IUPAC Name:
2-(2-chlorophenoxy)-N-methylethanamine
InChI:
InChI=1S/C9H12ClNO/c1-11-6-7-12-9-5-3-2-4-8(9)10/h2-5,11H,6-7H2,1H3
InChI Key:
GYRWDMBVYFSMTO-UHFFFAOYSA-N
SMILES:
CNCCOc1ccccc1Cl
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.651g/mol
Monoisotopic Mass:
185.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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