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1245606-63-6 | Benzenepropanoic acid, β-amino-4-bromo-, methyl ester, hydrochloride (1:1), (βS)-
CAS No: 1245606-63-6 Catalog No: AG000M7B MDL No:MFCD12911008
Product Description
Catalog Number:
AG000M7B
Chemical Name:
Benzenepropanoic acid, β-amino-4-bromo-, methyl ester, hydrochloride (1:1), (βS)-
CAS Number:
1245606-63-6
Molecular Formula:
C10H13BrClNO2
Molecular Weight:
294.5727
MDL Number:
MFCD12911008
IUPAC Name:
methyl (3S)-3-amino-3-(4-bromophenyl)propanoate;hydrochloride
InChI:
InChI=1S/C10H12BrNO2.ClH/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7;/h2-5,9H,6,12H2,1H3;1H/t9-;/m0./s1
InChI Key:
KCAPQHNPIIVGSF-FVGYRXGTSA-N
SMILES:
COC(=O)C[C@@H](c1ccc(cc1)Br)N.Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
292.982g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.573g/mol
Monoisotopic Mass:
292.982g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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