Home Halogens 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)azetidine-3-carboxylic acid

1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)azetidine-3-carboxylic acid

CAS No.:
1342476-50-9
Catalog Number:
AG01B6PY
Molecular Formula:
C8H9ClN4O3
Molecular Weight:
244.6351
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Product Description
Catalog Number:
AG01B6PY
Chemical Name:
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)azetidine-3-carboxylic acid
CAS Number:
1342476-50-9
Molecular Formula:
C8H9ClN4O3
Molecular Weight:
244.6351
MDL Number:
MFCD20282423
IUPAC Name:
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)azetidine-3-carboxylic acid
InChI:
InChI=1S/C8H9ClN4O3/c1-16-8-11-6(9)10-7(12-8)13-2-4(3-13)5(14)15/h4H,2-3H2,1H3,(H,14,15)
InChI Key:
UACMXTXXOSCMNW-UHFFFAOYSA-N
SMILES:
COc1nc(Cl)nc(n1)N1CC(C1)C(=O)O
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.036g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.635g/mol
Monoisotopic Mass:
244.036g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties