Home Halogens 4-{[(2-chloro-4-fluorophenyl)methyl]amino}butanoic acid hydrochloride

4-{[(2-chloro-4-fluorophenyl)methyl]amino}butanoic acid hydrochloride

CAS No.:
1172779-62-2
Catalog Number:
AG019V1M
Molecular Formula:
C11H14Cl2FNO2
Molecular Weight:
282.1388
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Product Description
Catalog Number:
AG019V1M
Chemical Name:
4-{[(2-chloro-4-fluorophenyl)methyl]amino}butanoic acid hydrochloride
CAS Number:
1172779-62-2
Molecular Formula:
C11H14Cl2FNO2
Molecular Weight:
282.1388
MDL Number:
MFCD11858084
IUPAC Name:
4-[(2-chloro-4-fluorophenyl)methylamino]butanoic acid;hydrochloride
InChI:
InChI=1S/C11H13ClFNO2.ClH/c12-10-6-9(13)4-3-8(10)7-14-5-1-2-11(15)16;/h3-4,6,14H,1-2,5,7H2,(H,15,16);1H
InChI Key:
IZXHWNDSAMZBLX-UHFFFAOYSA-N
SMILES:
OC(=O)CCCNCc1ccc(cc1Cl)F.Cl
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.039g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
282.136g/mol
Monoisotopic Mass:
281.039g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties