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1353965-69-1 | [(2,3-Dichloro-benzyl)-methyl-amino]-acetic acid
CAS No: 1353965-69-1 Catalog No: AG01F9IU MDL No:
Product Description
Catalog Number:
AG01F9IU
Chemical Name:
[(2,3-Dichloro-benzyl)-methyl-amino]-acetic acid
CAS Number:
1353965-69-1
Molecular Formula:
C10H11Cl2NO2
Molecular Weight:
248.1058
IUPAC Name:
2-[(2,3-dichlorophenyl)methyl-methylamino]acetic acid
InChI:
InChI=1S/C10H11Cl2NO2/c1-13(6-9(14)15)5-7-3-2-4-8(11)10(7)12/h2-4H,5-6H2,1H3,(H,14,15)
InChI Key:
KEEPHYKWHVPMMI-UHFFFAOYSA-N
SMILES:
CN(CC(=O)O)Cc1cccc(c1Cl)Cl
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.017g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.103g/mol
Monoisotopic Mass:
247.017g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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