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1052402-88-6 | 3-Chloro-5-ethoxy-4-methoxybenzylamine hydrochloride
CAS No: 1052402-88-6 Catalog No: AG01F8E4 MDL No:
Product Description
Catalog Number:
AG01F8E4
Chemical Name:
3-Chloro-5-ethoxy-4-methoxybenzylamine hydrochloride
CAS Number:
1052402-88-6
Molecular Formula:
C10H15Cl2NO2
Molecular Weight:
252.1376
IUPAC Name:
(3-chloro-5-ethoxy-4-methoxyphenyl)methanamine;hydrochloride
InChI:
InChI=1S/C10H14ClNO2.ClH/c1-3-14-9-5-7(6-12)4-8(11)10(9)13-2;/h4-5H,3,6,12H2,1-2H3;1H
InChI Key:
OLZATNHTEQIVLO-UHFFFAOYSA-N
SMILES:
CCOc1cc(CN)cc(c1OC)Cl.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:
251.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.135g/mol
Monoisotopic Mass:
251.048g/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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