Home Other Building Blocks 3-AMINO-3-(4-BROMO-3-FLUOROPHENYL)PROPANOIC ACID hydrochloride

3-AMINO-3-(4-BROMO-3-FLUOROPHENYL)PROPANOIC ACID hydrochloride

CAS No.:
2061980-53-6
Catalog Number:
AG01DTHO
Molecular Formula:
C9H10BrClFNO2
Molecular Weight:
298.5366
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Product Description
Catalog Number:
AG01DTHO
Chemical Name:
3-AMINO-3-(4-BROMO-3-FLUOROPHENYL)PROPANOIC ACID hydrochloride
CAS Number:
2061980-53-6
Molecular Formula:
C9H10BrClFNO2
Molecular Weight:
298.5366
MDL Number:
MFCD30609570
IUPAC Name:
3-amino-3-(4-bromo-3-fluorophenyl)propanoic acid;hydrochloride
InChI:
InChI=1S/C9H9BrFNO2.ClH/c10-6-2-1-5(3-7(6)11)8(12)4-9(13)14;/h1-3,8H,4,12H2,(H,13,14);1H
InChI Key:
RWJRLCWDUABOIF-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccc(c(c1)F)Br)N.Cl
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.957g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
298.536g/mol
Monoisotopic Mass:
296.957g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties