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82138-57-6 | 3-(5-FLUORO-1H-BENZIMIDAZOL-2-YL)PROPANOIC ACID
CAS No: 82138-57-6 Catalog No: AG0051HW MDL No:MFCD05864570
Product Description
Catalog Number:
AG0051HW
Chemical Name:
3-(5-FLUORO-1H-BENZIMIDAZOL-2-YL)PROPANOIC ACID
CAS Number:
82138-57-6
Molecular Formula:
C10H9FN2O2
Molecular Weight:
208.1891
MDL Number:
MFCD05864570
IUPAC Name:
3-(6-fluoro-1H-benzimidazol-2-yl)propanoic acid
InChI:
InChI=1S/C10H9FN2O2/c11-6-1-2-7-8(5-6)13-9(12-7)3-4-10(14)15/h1-2,5H,3-4H2,(H,12,13)(H,14,15)
InChI Key:
BKAQRRKGTFCGHG-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1nc2c([nH]1)ccc(c2)F
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.065g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.192g/mol
Monoisotopic Mass:
208.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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