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1049791-66-3 | 3.5-Dichloro-4-benzyloxybenzylamine hydrochloride
CAS No: 1049791-66-3 Catalog No: AG01F95Q MDL No:
Product Description
Catalog Number:
AG01F95Q
Chemical Name:
3.5-Dichloro-4-benzyloxybenzylamine hydrochloride
CAS Number:
1049791-66-3
Molecular Formula:
C14H14Cl3NO
Molecular Weight:
318.6261
IUPAC Name:
(3,5-dichloro-4-phenylmethoxyphenyl)methanamine;hydrochloride
InChI:
InChI=1S/C14H13Cl2NO.ClH/c15-12-6-11(8-17)7-13(16)14(12)18-9-10-4-2-1-3-5-10;/h1-7H,8-9,17H2;1H
InChI Key:
KOHUFJWJXPTFMX-UHFFFAOYSA-N
SMILES:
NCc1cc(Cl)c(c(c1)Cl)OCc1ccccc1.Cl
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.014g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.622g/mol
Monoisotopic Mass:
317.014g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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