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1065483-73-9 | [(6-Chloro-pyridin-3-ylmethyl)-amino]-acetic acid
CAS No: 1065483-73-9 Catalog No: AG01F95U MDL No:
Product Description
Catalog Number:
AG01F95U
Chemical Name:
[(6-Chloro-pyridin-3-ylmethyl)-amino]-acetic acid
CAS Number:
1065483-73-9
Molecular Formula:
C8H9ClN2O2
Molecular Weight:
200.6223
IUPAC Name:
2-[(6-chloropyridin-3-yl)methylamino]acetic acid
InChI:
InChI=1S/C8H9ClN2O2/c9-7-2-1-6(4-11-7)3-10-5-8(12)13/h1-2,4,10H,3,5H2,(H,12,13)
InChI Key:
GTPVVQDKPDNFHD-UHFFFAOYSA-N
SMILES:
OC(=O)CNCc1ccc(nc1)Cl
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.622g/mol
Monoisotopic Mass:
200.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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