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747371-90-0 | (S)-4-Amino-3-(4-fluorophenyl)butanoic acid
CAS No: 747371-90-0 Catalog No: AG005HXI MDL No:MFCD11520155
Product Description
Catalog Number:
AG005HXI
Chemical Name:
(S)-4-Amino-3-(4-fluorophenyl)butanoic acid
CAS Number:
747371-90-0
Molecular Formula:
C10H12FNO2
Molecular Weight:
197.2062
MDL Number:
MFCD11520155
IUPAC Name:
(3S)-4-amino-3-(4-fluorophenyl)butanoic acid
InChI:
InChI=1S/C10H12FNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m1/s1
InChI Key:
QWHXHLDNSXLAPX-MRVPVSSYSA-N
SMILES:
NC[C@H](c1ccc(cc1)F)CC(=O)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
197.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.209g/mol
Monoisotopic Mass:
197.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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