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415946-99-5 | [1-(2,4-Dichloro-benzyl)-pyrrolidin-2-yl]-methanol
CAS No: 415946-99-5 Catalog No: AG01F94N MDL No:
Product Description
Catalog Number:
AG01F94N
Chemical Name:
[1-(2,4-Dichloro-benzyl)-pyrrolidin-2-yl]-methanol
CAS Number:
415946-99-5
Molecular Formula:
C12H15Cl2NO
Molecular Weight:
260.1596
IUPAC Name:
[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol
InChI:
InChI=1S/C12H15Cl2NO/c13-10-4-3-9(12(14)6-10)7-15-5-1-2-11(15)8-16/h3-4,6,11,16H,1-2,5,7-8H2
InChI Key:
DZYWUHVYUYHVFU-UHFFFAOYSA-N
SMILES:
OCC1CCCN1Cc1ccc(cc1Cl)Cl
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.158g/mol
Monoisotopic Mass:
259.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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