Home Aminos 3-amino-2,6-difluoro-5-methylbenzoic acid

3-amino-2,6-difluoro-5-methylbenzoic acid

CAS No.:
1785570-19-5
Catalog Number:
AG01ALHS
Molecular Formula:
C8H7F2NO2
Molecular Weight:
187.1435
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Product Description
Catalog Number:
AG01ALHS
Chemical Name:
3-amino-2,6-difluoro-5-methylbenzoic acid
CAS Number:
1785570-19-5
Molecular Formula:
C8H7F2NO2
Molecular Weight:
187.1435
MDL Number:
MFCD28522278
IUPAC Name:
3-amino-2,6-difluoro-5-methylbenzoic acid
InChI:
InChI=1S/C8H7F2NO2/c1-3-2-4(11)7(10)5(6(3)9)8(12)13/h2H,11H2,1H3,(H,12,13)
InChI Key:
OYZFWPNMRPSOHG-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)c(C)cc(c1F)N
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.044g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
187.146g/mol
Monoisotopic Mass:
187.044g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties