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1156268-41-5 | [(2-Chloro-6-fluoro-benzyl)-methyl-amino]-acetic acid
CAS No: 1156268-41-5 Catalog No: AG01F85V MDL No:
Product Description
Catalog Number:
AG01F85V
Chemical Name:
[(2-Chloro-6-fluoro-benzyl)-methyl-amino]-acetic acid
CAS Number:
1156268-41-5
Molecular Formula:
C10H11ClFNO2
Molecular Weight:
231.6512
IUPAC Name:
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetic acid
InChI:
InChI=1S/C10H11ClFNO2/c1-13(6-10(14)15)5-7-8(11)3-2-4-9(7)12/h2-4H,5-6H2,1H3,(H,14,15)
InChI Key:
ZPEMFFGEWPDKRO-UHFFFAOYSA-N
SMILES:
OC(=O)CN(Cc1c(F)cccc1Cl)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.651g/mol
Monoisotopic Mass:
231.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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