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1178345-52-2 | [Ethyl-(3-fluoro-benzyl)-amino]-acetic acid
CAS No: 1178345-52-2 Catalog No: AG01FAU1 MDL No:
Product Description
Catalog Number:
AG01FAU1
Chemical Name:
[Ethyl-(3-fluoro-benzyl)-amino]-acetic acid
CAS Number:
1178345-52-2
Molecular Formula:
C11H14FNO2
Molecular Weight:
211.2328
IUPAC Name:
2-[ethyl-[(3-fluorophenyl)methyl]amino]acetic acid
InChI:
InChI=1S/C11H14FNO2/c1-2-13(8-11(14)15)7-9-4-3-5-10(12)6-9/h3-6H,2,7-8H2,1H3,(H,14,15)
InChI Key:
PJJWHGFODYRSJU-UHFFFAOYSA-N
SMILES:
CCN(Cc1cccc(c1)F)CC(=O)O
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.101g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.236g/mol
Monoisotopic Mass:
211.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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