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1153236-02-2 | [(2,6-Dichloro-benzyl)-methyl-amino]-acetic acid
CAS No: 1153236-02-2 Catalog No: AG01F9FF MDL No:
Product Description
Catalog Number:
AG01F9FF
Chemical Name:
[(2,6-Dichloro-benzyl)-methyl-amino]-acetic acid
CAS Number:
1153236-02-2
Molecular Formula:
C10H11Cl2NO2
Molecular Weight:
248.1058
IUPAC Name:
2-[(2,6-dichlorophenyl)methyl-methylamino]acetic acid
InChI:
InChI=1S/C10H11Cl2NO2/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:
VDFDNGFZPLITCO-UHFFFAOYSA-N
SMILES:
CN(Cc1c(Cl)cccc1Cl)CC(=O)O
Properties
Complexity:
216
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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