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1314406-49-9 | Benzoic acid, 3-chloro-4-(4-morpholinyl)-, methyl ester
CAS No: 1314406-49-9 Catalog No: AG000W74 MDL No:MFCD19442778
Product Description
Catalog Number:
AG000W74
Chemical Name:
Benzoic acid, 3-chloro-4-(4-morpholinyl)-, methyl ester
CAS Number:
1314406-49-9
Molecular Formula:
C12H14ClNO3
Molecular Weight:
255.6975
MDL Number:
MFCD19442778
IUPAC Name:
methyl 3-chloro-4-morpholin-4-ylbenzoate
InChI:
InChI=1S/C12H14ClNO3/c1-16-12(15)9-2-3-11(10(13)8-9)14-4-6-17-7-5-14/h2-3,8H,4-7H2,1H3
InChI Key:
UUPAJPGLLULBAX-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)Cl)N1CCOCC1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.066g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.698g/mol
Monoisotopic Mass:
255.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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