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1706418-83-8 | 4-Chloro-2-fluoro-3-methoxy-DL-phenylalanine
CAS No: 1706418-83-8 Catalog No: AG01FAQY MDL No:
Product Description
Catalog Number:
AG01FAQY
Chemical Name:
4-Chloro-2-fluoro-3-methoxy-DL-phenylalanine
CAS Number:
1706418-83-8
Molecular Formula:
C10H11ClFNO3
Molecular Weight:
247.6506
IUPAC Name:
2-amino-3-(4-chloro-2-fluoro-3-methoxyphenyl)propanoic acid
InChI:
InChI=1S/C10H11ClFNO3/c1-16-9-6(11)3-2-5(8(9)12)4-7(13)10(14)15/h2-3,7H,4,13H2,1H3,(H,14,15)
InChI Key:
PVFWDJBNASYQGK-UHFFFAOYSA-N
SMILES:
COc1c(F)c(CC(C(=O)O)N)ccc1Cl
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.65g/mol
Monoisotopic Mass:
247.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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