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22177-92-0

22177-92-0 | 4-(6-Chloropyrimidin-4-yl)morpholine

CAS No: 22177-92-0 Catalog No: AG0038VP MDL No:MFCD00466219

Product Description

Catalog Number:
AG0038VP
Chemical Name:
4-(6-Chloropyrimidin-4-yl)morpholine
CAS Number:
22177-92-0
Molecular Formula:
C8H10ClN3O
Molecular Weight:
199.6375
MDL Number:
MFCD00466219
IUPAC Name:
4-(6-chloropyrimidin-4-yl)morpholine
InChI:
InChI=1S/C8H10ClN3O/c9-7-5-8(11-6-10-7)12-1-3-13-4-2-12/h5-6H,1-4H2
InChI Key:
CFOBQJWOZVMWBR-UHFFFAOYSA-N
SMILES:
Clc1ncnc(c1)N1CCOCC1

Properties

Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.051g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.638g/mol
Monoisotopic Mass:
199.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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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