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100607-15-6 | Ethanamine, 2-(3-bromophenoxy)-N-methyl-
CAS No: 100607-15-6 Catalog No: AG0002H9 MDL No:MFCD08691788
Product Description
Catalog Number:
AG0002H9
Chemical Name:
Ethanamine, 2-(3-bromophenoxy)-N-methyl-
CAS Number:
100607-15-6
Molecular Formula:
C9H12BrNO
Molecular Weight:
230.1017
MDL Number:
MFCD08691788
IUPAC Name:
2-(3-bromophenoxy)-N-methylethanamine
InChI:
InChI=1S/C9H12BrNO/c1-11-5-6-12-9-4-2-3-8(10)7-9/h2-4,7,11H,5-6H2,1H3
InChI Key:
PQIPCIAJXVJILP-UHFFFAOYSA-N
SMILES:
CNCCOc1cccc(c1)Br
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.01g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.105g/mol
Monoisotopic Mass:
229.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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