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177960-38-2 | Benzoic acid, 2,3-diamino-5-fluoro-
CAS No: 177960-38-2 Catalog No: AG0025NE MDL No:MFCD12197351
Product Description
Catalog Number:
AG0025NE
Chemical Name:
Benzoic acid, 2,3-diamino-5-fluoro-
CAS Number:
177960-38-2
Molecular Formula:
C7H7FN2O2
Molecular Weight:
170.1411
MDL Number:
MFCD12197351
IUPAC Name:
2,3-diamino-5-fluorobenzoic acid
InChI:
InChI=1S/C7H7FN2O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,9-10H2,(H,11,12)
InChI Key:
QOAHUTZAPQUPND-UHFFFAOYSA-N
SMILES:
Fc1cc(N)c(c(c1)C(=O)O)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:
0.7
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