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Home > Fluorides > 1259965-62-2
1259965-62-2 | Phenylalanine, 2-fluoro-4-methyl-
CAS No: 1259965-62-2 Catalog No: AG000QN6 MDL No:MFCD04116029
Product Description
Catalog Number:
AG000QN6
Chemical Name:
Phenylalanine, 2-fluoro-4-methyl-
CAS Number:
1259965-62-2
Molecular Formula:
C10H12FNO2
Molecular Weight:
197.2062
MDL Number:
MFCD04116029
IUPAC Name:
2-amino-3-(2-fluoro-4-methylphenyl)propanoic acid
InChI:
InChI=1S/C10H12FNO2/c1-6-2-3-7(8(11)4-6)5-9(12)10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14)
InChI Key:
ZWMXOQFVRKESMD-UHFFFAOYSA-N
SMILES:
OC(=O)[C@H](Cc1ccc(cc1F)C)N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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