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26586-20-9 | Benzoic acid, 3-chloro-4-(4-morpholinyl)-
CAS No: 26586-20-9 Catalog No: AG002TSJ MDL No:MFCD13191623
Product Description
Catalog Number:
AG002TSJ
Chemical Name:
Benzoic acid, 3-chloro-4-(4-morpholinyl)-
CAS Number:
26586-20-9
Molecular Formula:
C11H12ClNO3
Molecular Weight:
241.6709
MDL Number:
MFCD13191623
IUPAC Name:
3-chloro-4-morpholin-4-ylbenzoic acid
InChI:
InChI=1S/C11H12ClNO3/c12-9-7-8(11(14)15)1-2-10(9)13-3-5-16-6-4-13/h1-2,7H,3-6H2,(H,14,15)
InChI Key:
GZDHVZCNDDAJPE-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1N1CCOCC1)C(=O)O
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.671g/mol
Monoisotopic Mass:
241.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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