Home Halogens 2-{[(2-chloro-6-fluorophenyl)methyl]amino}propanoic acid hydrochloride

2-{[(2-chloro-6-fluorophenyl)methyl]amino}propanoic acid hydrochloride

CAS No.:
1396966-88-3
Catalog Number:
AG019NFL
Molecular Formula:
C10H12Cl2FNO2
Molecular Weight:
268.1122
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Product Description
Catalog Number:
AG019NFL
Chemical Name:
2-{[(2-chloro-6-fluorophenyl)methyl]amino}propanoic acid hydrochloride
CAS Number:
1396966-88-3
Molecular Formula:
C10H12Cl2FNO2
Molecular Weight:
268.1122
MDL Number:
MFCD11505576
IUPAC Name:
2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid;hydrochloride
InChI:
InChI=1S/C10H11ClFNO2.ClH/c1-6(10(14)15)13-5-7-8(11)3-2-4-9(7)12;/h2-4,6,13H,5H2,1H3,(H,14,15);1H
InChI Key:
MTNCZVSCCLBIAZ-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)NCc1c(F)cccc1Cl.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:
267.023g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
268.109g/mol
Monoisotopic Mass:
267.023g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties