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887583-80-4 | Benzenepropanoic acid, b-amino-2,6-difluoro-4-methoxy-
CAS No: 887583-80-4 Catalog No: AG004C71 MDL No:
Product Description
Catalog Number:
AG004C71
Chemical Name:
Benzenepropanoic acid, b-amino-2,6-difluoro-4-methoxy-
CAS Number:
887583-80-4
Molecular Formula:
C10H11F2NO3
Molecular Weight:
231.1960
IUPAC Name:
3-amino-3-(2,6-difluoro-4-methoxyphenyl)propanoic acid
InChI:
InChI=1S/C10H11F2NO3/c1-16-5-2-6(11)10(7(12)3-5)8(13)4-9(14)15/h2-3,8H,4,13H2,1H3,(H,14,15)
InChI Key:
PINFNWZPODQSLG-UHFFFAOYSA-N
SMILES:
COc1cc(F)c(c(c1)F)C(CC(=O)O)N
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.199g/mol
Monoisotopic Mass:
231.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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