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1137666-85-3 | 3-Pyridineacetic acid, α-amino-6-(4-chlorophenyl)-, hydrochloride (1:1)
CAS No: 1137666-85-3 Catalog No: AG0009LM MDL No:MFCD07371467
Product Description
Catalog Number:
AG0009LM
Chemical Name:
3-Pyridineacetic acid, α-amino-6-(4-chlorophenyl)-, hydrochloride (1:1)
CAS Number:
1137666-85-3
Molecular Formula:
C13H12Cl2N2O2
Molecular Weight:
299.1526
MDL Number:
MFCD07371467
IUPAC Name:
2-amino-2-[6-(4-chlorophenyl)pyridin-3-yl]acetic acid;hydrochloride
InChI:
InChI=1S/C13H11ClN2O2.ClH/c14-10-4-1-8(2-5-10)11-6-3-9(7-16-11)12(15)13(17)18;/h1-7,12H,15H2,(H,17,18);1H
InChI Key:
WGOLXZAVFNJFIL-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc(nc1)c1ccc(cc1)Cl)N.Cl
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.028g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
299.151g/mol
Monoisotopic Mass:
298.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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