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1260678-31-6 | Benzeneacetic acid, 4-amino-2-(difluoromethoxy)-
CAS No: 1260678-31-6 Catalog No: AG000R2L MDL No:
Product Description
Catalog Number:
AG000R2L
Chemical Name:
Benzeneacetic acid, 4-amino-2-(difluoromethoxy)-
CAS Number:
1260678-31-6
Molecular Formula:
C9H9F2NO3
Molecular Weight:
217.1695
IUPAC Name:
2-[4-amino-2-(difluoromethoxy)phenyl]acetic acid
InChI:
InChI=1S/C9H9F2NO3/c10-9(11)15-7-4-6(12)2-1-5(7)3-8(13)14/h1-2,4,9H,3,12H2,(H,13,14)
InChI Key:
FIHQIIBGIXJRSC-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1OC(F)F)N
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.055g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.172g/mol
Monoisotopic Mass:
217.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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