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127842-68-6 | Benzenepropanoic acid, β-amino-4-(difluoromethoxy)-
CAS No: 127842-68-6 Catalog No: AG000XH9 MDL No:
Product Description
Catalog Number:
AG000XH9
Chemical Name:
Benzenepropanoic acid, β-amino-4-(difluoromethoxy)-
CAS Number:
127842-68-6
Molecular Formula:
C10H11F2NO3
Molecular Weight:
231.1960
IUPAC Name:
3-amino-3-[4-(difluoromethoxy)phenyl]propanoic acid
InChI:
InChI=1S/C10H11F2NO3/c11-10(12)16-7-3-1-6(2-4-7)8(13)5-9(14)15/h1-4,8,10H,5,13H2,(H,14,15)
InChI Key:
UABOSAZLODRFLV-UHFFFAOYSA-N
SMILES:
NC(c1ccc(cc1)OC(F)F)CC(=O)O
Properties
Complexity:
230
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:
-0.5
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