Home Carboxys 5-fluoro-1H-1,3-benzodiazole-6-carboxylic acid

5-fluoro-1H-1,3-benzodiazole-6-carboxylic acid

CAS No.:
1360948-07-7
Catalog Number:
AG01B9V7
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B9V7
Chemical Name:
5-fluoro-1H-1,3-benzodiazole-6-carboxylic acid
CAS Number:
1360948-07-7
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
IUPAC Name:
6-fluoro-1H-benzimidazole-5-carboxylic acid
InChI:
InChI=1S/C8H5FN2O2/c9-5-2-7-6(10-3-11-7)1-4(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
CDIVDELLRTUYAB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2[nH]cnc2cc1F
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.034g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.138g/mol
Monoisotopic Mass:
180.034g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties