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1181626-35-6 | [(3-Chloro-benzyl)-ethyl-amino]-acetic acid
CAS No: 1181626-35-6 Catalog No: AG01FAU6 MDL No:
Product Description
Catalog Number:
AG01FAU6
Chemical Name:
[(3-Chloro-benzyl)-ethyl-amino]-acetic acid
CAS Number:
1181626-35-6
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
IUPAC Name:
2-[(3-chlorophenyl)methyl-ethylamino]acetic acid
InChI:
InChI=1S/C11H14ClNO2/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:
NALHZZCFOPDVIF-UHFFFAOYSA-N
SMILES:
CCN(Cc1cccc(c1)Cl)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:
227.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.688g/mol
Monoisotopic Mass:
227.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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