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1181702-16-8 | [(2-Chloro-6-fluoro-benzyl)-ethyl-amino]-acetic acid
CAS No: 1181702-16-8 Catalog No: AG01F8ES MDL No:
Product Description
Catalog Number:
AG01F8ES
Chemical Name:
[(2-Chloro-6-fluoro-benzyl)-ethyl-amino]-acetic acid
CAS Number:
1181702-16-8
Molecular Formula:
C11H13ClFNO2
Molecular Weight:
245.6778
IUPAC Name:
2-[(2-chloro-6-fluorophenyl)methyl-ethylamino]acetic acid
InChI:
InChI=1S/C11H13ClFNO2/c1-2-14(7-11(15)16)6-8-9(12)4-3-5-10(8)13/h3-5H,2,6-7H2,1H3,(H,15,16)
InChI Key:
PWEKLSDRKXKALK-UHFFFAOYSA-N
SMILES:
CCN(Cc1c(F)cccc1Cl)CC(=O)O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.678g/mol
Monoisotopic Mass:
245.062g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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