Home Nitriles 3-Amino-1-benzofuran-2-carbonitrile

3-Amino-1-benzofuran-2-carbonitrile

CAS No.:
62208-67-7
Catalog Number:
AG00EEDY
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$63
- +
1g
97%
In Stock USA
United States
$119
- +
5g
97%
In Stock USA
United States
$344
- +
10g
97%
In Stock USA
United States
$582
- +
Product Description
Catalog Number:
AG00EEDY
Chemical Name:
3-Amino-1-benzofuran-2-carbonitrile
CAS Number:
62208-67-7
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
MDL Number:
MFCD06334923
IUPAC Name:
3-amino-1-benzofuran-2-carbonitrile
InChI:
InChI=1S/C9H6N2O/c10-5-8-9(11)6-3-1-2-4-7(6)12-8/h1-4H,11H2
InChI Key:
KPLPXBCQZSGRGU-UHFFFAOYSA-N
SMILES:
N#Cc1oc2c(c1N)cccc2
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.048g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.16g/mol
Monoisotopic Mass:
158.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties