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743456-85-1 | 2-(4-bromophenoxy)-N-methylethanamine
CAS No: 743456-85-1 Catalog No: AG00396D MDL No:MFCD05264059
Product Description
Catalog Number:
AG00396D
Chemical Name:
2-(4-bromophenoxy)-N-methylethanamine
CAS Number:
743456-85-1
Molecular Formula:
C9H12BrNO
Molecular Weight:
230.1017
MDL Number:
MFCD05264059
IUPAC Name:
2-(4-bromophenoxy)-N-methylethanamine
InChI:
InChI=1S/C9H12BrNO/c1-11-6-7-12-9-4-2-8(10)3-5-9/h2-5,11H,6-7H2,1H3
InChI Key:
KBQNXQWMKSFFKY-UHFFFAOYSA-N
SMILES:
CNCCOc1ccc(cc1)Br
Properties
Complexity:
113
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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