Home Aminos 5-amino-2,4-difluoro-3-hydroxybenzoic acid

5-amino-2,4-difluoro-3-hydroxybenzoic acid

CAS No.:
1025127-35-8
Catalog Number:
AG01DUXC
Molecular Formula:
C7H5F2NO3
Molecular Weight:
189.1163
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Product Description
Catalog Number:
AG01DUXC
Chemical Name:
5-amino-2,4-difluoro-3-hydroxybenzoic acid
CAS Number:
1025127-35-8
Molecular Formula:
C7H5F2NO3
Molecular Weight:
189.1163
MDL Number:
MFCD31615801
IUPAC Name:
5-amino-2,4-difluoro-3-hydroxybenzoic acid
InChI:
InChI=1S/C7H5F2NO3/c8-4-2(7(12)13)1-3(10)5(9)6(4)11/h1,11H,10H2,(H,12,13)
InChI Key:
RQIRQOCTOBXYQC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(N)c(c(c1F)O)F
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.024g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
189.118g/mol
Monoisotopic Mass:
189.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties