Home Aminos methyl 4,5-diamino-2-fluorobenzoate

methyl 4,5-diamino-2-fluorobenzoate

CAS No.:
936939-69-4
Catalog Number:
AG01DI1W
Molecular Formula:
C8H9FN2O2
Molecular Weight:
184.1677
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Product Description
Catalog Number:
AG01DI1W
Chemical Name:
methyl 4,5-diamino-2-fluorobenzoate
CAS Number:
936939-69-4
Molecular Formula:
C8H9FN2O2
Molecular Weight:
184.1677
MDL Number:
MFCD16036715
IUPAC Name:
methyl 4,5-diamino-2-fluorobenzoate
InChI:
InChI=1S/C8H9FN2O2/c1-13-8(12)4-2-6(10)7(11)3-5(4)9/h2-3H,10-11H2,1H3
InChI Key:
FADJCISTXVQLMQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(N)c(cc1F)N
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.065g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
184.17g/mol
Monoisotopic Mass:
184.065g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties