Home Nitriles 2-amino-6-fluoro-1,3-benzoxazole-5-carbonitrile

2-amino-6-fluoro-1,3-benzoxazole-5-carbonitrile

CAS No.:
1820603-76-6
Catalog Number:
AG00I0FX
Molecular Formula:
C8H4FN3O
Molecular Weight:
177.1353
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$275
- +
1g
95%
In Stock USA
United States
$688
- +
Product Description
Catalog Number:
AG00I0FX
Chemical Name:
2-amino-6-fluoro-1,3-benzoxazole-5-carbonitrile
CAS Number:
1820603-76-6
Molecular Formula:
C8H4FN3O
Molecular Weight:
177.1353
MDL Number:
MFCD27936915
IUPAC Name:
2-amino-6-fluoro-1,3-benzoxazole-5-carbonitrile
InChI:
InChI=1S/C8H4FN3O/c9-5-2-7-6(1-4(5)3-10)12-8(11)13-7/h1-2H,(H2,11,12)
InChI Key:
QKYAXEPBTUFVOP-UHFFFAOYSA-N
SMILES:
N#Cc1cc2nc(oc2cc1F)N
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.034g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.138g/mol
Monoisotopic Mass:
177.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties