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246876-92-6 | Benzenebutanoic acid, β-amino-2-fluoro-, (βS)-
CAS No: 246876-92-6 Catalog No: AG002P0Y MDL No:MFCD01861003
Product Description
Catalog Number:
AG002P0Y
Chemical Name:
Benzenebutanoic acid, β-amino-2-fluoro-, (βS)-
CAS Number:
246876-92-6
Molecular Formula:
C10H12FNO2
Molecular Weight:
197.2062
MDL Number:
MFCD01861003
IUPAC Name:
(3S)-3-amino-4-(2-fluorophenyl)butanoic acid;hydrochloride
InChI:
InChI=1S/C10H12FNO2.ClH/c11-9-4-2-1-3-7(9)5-8(12)6-10(13)14;/h1-4,8H,5-6,12H2,(H,13,14);1H/t8-;/m0./s1
InChI Key:
JZQZLHARRLTFJX-QRPNPIFTSA-N
SMILES:
N[C@@H](Cc1ccccc1F)CC(=O)O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
233.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
233.667g/mol
Monoisotopic Mass:
233.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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