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1184050-14-3 | [(3,4-Dichloro-benzyl)-ethyl-amino]-acetic acid
CAS No: 1184050-14-3 Catalog No: AG01F9QC MDL No:
Product Description
Catalog Number:
AG01F9QC
Chemical Name:
[(3,4-Dichloro-benzyl)-ethyl-amino]-acetic acid
CAS Number:
1184050-14-3
Molecular Formula:
C11H13Cl2NO2
Molecular Weight:
262.1324
IUPAC Name:
2-[(3,4-dichlorophenyl)methyl-ethylamino]acetic acid
InChI:
InChI=1S/C11H13Cl2NO2/c1-2-14(7-11(15)16)6-8-3-4-9(12)10(13)5-8/h3-5H,2,6-7H2,1H3,(H,15,16)
InChI Key:
PGCNMGGNENWLLT-UHFFFAOYSA-N
SMILES:
CCN(Cc1ccc(c(c1)Cl)Cl)CC(=O)O
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.032g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.13g/mol
Monoisotopic Mass:
261.032g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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