Home Aminos 2-amino-3-fluoro-4-methoxybenzoic acid

2-amino-3-fluoro-4-methoxybenzoic acid

CAS No.:
1180497-45-3
Catalog Number:
AG019SG9
Molecular Formula:
C8H8FNO3
Molecular Weight:
185.1524
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Product Description
Catalog Number:
AG019SG9
Chemical Name:
2-amino-3-fluoro-4-methoxybenzoic acid
CAS Number:
1180497-45-3
Molecular Formula:
C8H8FNO3
Molecular Weight:
185.1524
MDL Number:
MFCD20502077
IUPAC Name:
2-amino-3-fluoro-4-methoxybenzoic acid
InChI:
InChI=1S/C8H8FNO3/c1-13-5-3-2-4(8(11)12)7(10)6(5)9/h2-3H,10H2,1H3,(H,11,12)
InChI Key:
PBKUCGDCMIJIFL-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1F)N)C(=O)O
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.049g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
185.154g/mol
Monoisotopic Mass:
185.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties