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127842-69-7 | Benzenepropanoic acid, β-amino-2-(difluoromethoxy)-
CAS No: 127842-69-7 Catalog No: AG000XH8 MDL No:
Product Description
Catalog Number:
AG000XH8
Chemical Name:
Benzenepropanoic acid, β-amino-2-(difluoromethoxy)-
CAS Number:
127842-69-7
Molecular Formula:
C10H11F2NO3
Molecular Weight:
231.1960
IUPAC Name:
3-amino-3-[2-(difluoromethoxy)phenyl]propanoic acid
InChI:
InChI=1S/C10H11F2NO3/c11-10(12)16-8-4-2-1-3-6(8)7(13)5-9(14)15/h1-4,7,10H,5,13H2,(H,14,15)
InChI Key:
MJAMQUZSDYHIAK-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccccc1OC(F)F)N
Properties
Complexity:
238
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:
5
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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