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887582-48-1 | Benzenemethanamine,5-bromo-2-ethoxy-
CAS No: 887582-48-1 Catalog No: AG004BYQ MDL No:MFCD07786713
Product Description
Catalog Number:
AG004BYQ
Chemical Name:
Benzenemethanamine,5-bromo-2-ethoxy-
CAS Number:
887582-48-1
Molecular Formula:
C9H12BrNO
Molecular Weight:
230.1017
MDL Number:
MFCD07786713
IUPAC Name:
(5-bromo-2-ethoxyphenyl)methanamine
InChI:
InChI=1S/C9H12BrNO/c1-2-12-9-4-3-8(10)5-7(9)6-11/h3-5H,2,6,11H2,1H3
InChI Key:
OCHULHOAUXUKCI-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1CN)Br
Properties
Complexity:
132
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:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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