Home Aminos 2-amino-5-(difluoromethoxy)-4-methoxybenzoic acid

2-amino-5-(difluoromethoxy)-4-methoxybenzoic acid

CAS No.:
1096901-30-2
Catalog Number:
AG019WUG
Molecular Formula:
C9H9F2NO4
Molecular Weight:
233.1689
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Product Description
Catalog Number:
AG019WUG
Chemical Name:
2-amino-5-(difluoromethoxy)-4-methoxybenzoic acid
CAS Number:
1096901-30-2
Molecular Formula:
C9H9F2NO4
Molecular Weight:
233.1689
MDL Number:
MFCD12168753
IUPAC Name:
2-amino-5-(difluoromethoxy)-4-methoxybenzoic acid
InChI:
InChI=1S/C9H9F2NO4/c1-15-6-3-5(12)4(8(13)14)2-7(6)16-9(10)11/h2-3,9H,12H2,1H3,(H,13,14)
InChI Key:
NMVWLHHXAMIXCH-UHFFFAOYSA-N
SMILES:
COc1cc(N)c(cc1OC(F)F)C(=O)O
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.05g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.171g/mol
Monoisotopic Mass:
233.05g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties