Home Aminos 4,5-diamino-2-fluorobenzoic acid

4,5-diamino-2-fluorobenzoic acid

CAS No.:
1379099-19-0
Catalog Number:
AG01A6RL
Molecular Formula:
C7H7FN2O2
Molecular Weight:
170.1411
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Product Description
Catalog Number:
AG01A6RL
Chemical Name:
4,5-diamino-2-fluorobenzoic acid
CAS Number:
1379099-19-0
Molecular Formula:
C7H7FN2O2
Molecular Weight:
170.1411
MDL Number:
MFCD17168920
IUPAC Name:
4,5-diamino-2-fluorobenzoic acid
InChI:
InChI=1S/C7H7FN2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,9-10H2,(H,11,12)
InChI Key:
VMZYHYPZUMUAPN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(N)c(cc1F)N
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.049g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
170.143g/mol
Monoisotopic Mass:
170.049g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties