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440647-17-6 | (2,6-Dichloro-benzylamino)-acetic acid
CAS No: 440647-17-6 Catalog No: AG016NLU MDL No:
Product Description
Catalog Number:
AG016NLU
Chemical Name:
(2,6-Dichloro-benzylamino)-acetic acid
CAS Number:
440647-17-6
Molecular Formula:
C9H9Cl2NO2
Molecular Weight:
234.0793
IUPAC Name:
2-[(2,6-dichlorophenyl)methylamino]acetic acid
InChI:
InChI=1S/C9H9Cl2NO2/c10-7-2-1-3-8(11)6(7)4-12-5-9(13)14/h1-3,12H,4-5H2,(H,13,14)
InChI Key:
ILKDPXNSQNXPHP-UHFFFAOYSA-N
SMILES:
OC(=O)CNCc1c(Cl)cccc1Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.001g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.076g/mol
Monoisotopic Mass:
233.001g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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