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1052518-50-9 | 2-Bromo-5-ethoxy-4-methoxybenzylamine hydrochloride
CAS No: 1052518-50-9 Catalog No: AG01F8NS MDL No:
Product Description
Catalog Number:
AG01F8NS
Chemical Name:
2-Bromo-5-ethoxy-4-methoxybenzylamine hydrochloride
CAS Number:
1052518-50-9
Molecular Formula:
C10H15BrClNO2
Molecular Weight:
296.5886
IUPAC Name:
(2-bromo-5-ethoxy-4-methoxyphenyl)methanamine;hydrochloride
InChI:
InChI=1S/C10H14BrNO2.ClH/c1-3-14-10-4-7(6-12)8(11)5-9(10)13-2;/h4-5H,3,6,12H2,1-2H3;1H
InChI Key:
IAGHCCIPDDRLMK-UHFFFAOYSA-N
SMILES:
CCOc1cc(CN)c(cc1OC)Br.Cl
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.997g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.589g/mol
Monoisotopic Mass:
294.997g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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